smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CC=C)[C@@H]2c2ccc(O)c(OC)c2)cc1 ZINC000016741325 519017952 /nfs/dbraw/zinc/01/79/52/519017952.db2.gz FKUJOYILTXFXAH-OAQYLSRUSA-N 0 1 421.449 3.730 50 30 HHEAMN O=C(c1ccccc1)C1C(=O)C(=O)N(Cc2ccco2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000018209017 526269101 /nfs/dbraw/zinc/26/91/01/526269101.db2.gz OHCRMFNVNAYNOW-IBGZPJMESA-N 0 1 404.378 3.966 50 30 HHEAMN COc1ccc(/C=N/N=C2/NC(=O)C(Cc3ccc(Cl)cc3)S2)cc1OC ZINC000001220249 557248117 /nfs/dbraw/zinc/24/81/17/557248117.db2.gz ZBOVXTDKKCUTDP-LASGFXPTSA-N 0 1 403.891 3.521 50 30 HHEAMN CC(C)c1nnc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2cccnc2)s1 ZINC000004951892 557616601 /nfs/dbraw/zinc/61/66/01/557616601.db2.gz LZJUAWCMEZMDHC-CQSZACIVSA-N 0 1 412.496 3.901 50 30 HHEAMN CC(C)c1nnc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2cccnc2)s1 ZINC000004951899 557616606 /nfs/dbraw/zinc/61/66/06/557616606.db2.gz LZJUAWCMEZMDHC-AWEZNQCLSA-N 0 1 412.496 3.901 50 30 HHEAMN CC(C)(C)c1ccc([C@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCOCCO)cc1 ZINC000006693060 557715274 /nfs/dbraw/zinc/71/52/74/557715274.db2.gz WMCLUKZUUPOWFW-NRFANRHFSA-N 0 1 423.509 3.571 50 30 HHEAMN COc1ccc(C=Nn2c(C(F)F)n[nH]c2=S)cc1COc1ccc(C#N)cc1 ZINC000002790373 557759985 /nfs/dbraw/zinc/75/99/85/557759985.db2.gz CRAJLKBREADAAO-AUEPDCJTSA-N 0 1 415.425 3.846 50 30 HHEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000020394356 558359690 /nfs/dbraw/zinc/35/96/90/558359690.db2.gz GVGUKNIQMIQROF-JOCHJYFZSA-N 0 1 422.525 3.959 50 30 HHEAMN CCCOc1cccc(C(=O)C2C(=O)C(=O)N(CCOC)[C@H]2c2cccs2)c1 ZINC000016749890 558804445 /nfs/dbraw/zinc/80/44/45/558804445.db2.gz RHBOKUUSUNKTFL-SFHVURJKSA-N 0 1 401.484 3.762 50 30 HHEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccncc2)cc1C ZINC000018182092 558832919 /nfs/dbraw/zinc/83/29/19/558832919.db2.gz NSPLCTRQANGMLU-NRFANRHFSA-N 0 1 415.449 3.572 50 30 HHEAMN O=C(c1ccccc1)C1C(=O)C(=O)N(CCCn2ccnc2)[C@H]1c1ccc(F)cc1 ZINC000096832992 559112356 /nfs/dbraw/zinc/11/23/56/559112356.db2.gz FFCRHUMGJFNTAL-FQEVSTJZSA-N 0 1 405.429 3.691 50 30 HHEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccc([N+](=O)[O-])cc2)no1 ZINC000005052351 559237135 /nfs/dbraw/zinc/23/71/35/559237135.db2.gz RVOXZZNFFSKDNA-INIZCTEOSA-N 0 1 411.395 3.736 50 30 HHEAMN N#CC(c1nc2ccccc2nc1N1CCCC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000005150407 559252163 /nfs/dbraw/zinc/25/21/63/559252163.db2.gz YXZJGJVKENDFID-SFHVURJKSA-N 0 1 412.902 3.922 50 30 HHEAMN CSc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(C)o3)[C@@H]2c2ccccc2)s1 ZINC000102599937 560817663 /nfs/dbraw/zinc/81/76/63/560817663.db2.gz HVLUCBLCYOFOIX-MRPLLJTBSA-N 0 1 413.480 3.788 50 30 HHEAMN O=C(c1cccc([N+](=O)[O-])c1)C1C(=O)C(=O)N(Cc2ccco2)[C@H]1c1ccc(F)cc1 ZINC000102607790 560818872 /nfs/dbraw/zinc/81/88/72/560818872.db2.gz CQRBUDGCVDTGNX-WOOAAIBNSA-N 0 1 422.368 3.949 50 30 HHEAMN COc1ccc([C@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2Cc2ccco2)cc1OC ZINC000102856673 560830869 /nfs/dbraw/zinc/83/08/69/560830869.db2.gz XAKAMHOAGDAIMZ-MRJHHRETSA-N 0 1 419.433 3.919 50 30 HHEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc(OC)c1 ZINC000102858278 560831174 /nfs/dbraw/zinc/83/11/74/560831174.db2.gz IQMLRQNFBHTDPF-WOOAAIBNSA-N 0 1 415.873 3.807 50 30 HHEAMN COC(=O)c1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2Cc2ccco2)cc1 ZINC000102879745 560833635 /nfs/dbraw/zinc/83/36/35/560833635.db2.gz JGJSXCGGDIOBRF-NHFXJNLRSA-N 0 1 417.417 3.688 50 30 HHEAMN C=CCOC[C@@H](O)CN(Cc1cccc(Cl)c1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104984821 560859063 /nfs/dbraw/zinc/85/90/63/560859063.db2.gz JRECSVGSSQHFRA-FCHUYYIVSA-N 0 1 414.933 3.899 50 30 HHEAMN O=C(c1ccsc1)N1CC[C@]2(C1)Nc1cccnc1N=C2NCc1ccccc1 ZINC000096309971 568724037 /nfs/dbraw/zinc/72/40/37/568724037.db2.gz BUMYGQRODVOGMO-JOCHJYFZSA-N 0 1 403.511 3.864 50 30 biogenic HHEAMN C=CCOc1c(Cl)cc(/C=C2\C(=O)NN(c3ccc(C)c(C)c3)C2=O)cc1OC ZINC000002960104 568830186 /nfs/dbraw/zinc/83/01/86/568830186.db2.gz NADKKRSHIFTVJA-LICLKQGHSA-N 0 1 412.873 3.992 50 30 HHEAMN C=CCN(Cc1ccc(Br)s1)C(=O)CSc1nc(C2CC2)n[nH]1 ZINC000012780088 568956908 /nfs/dbraw/zinc/95/69/08/568956908.db2.gz HXJUNRKTQUDVPB-UHFFFAOYSA-N 0 1 413.366 3.813 50 30 HHEAMN C=CCN(Cc1ccc(Br)s1)C(=O)CSc1n[nH]c(C2CC2)n1 ZINC000012780088 568956909 /nfs/dbraw/zinc/95/69/09/568956909.db2.gz HXJUNRKTQUDVPB-UHFFFAOYSA-N 0 1 413.366 3.813 50 30 HHEAMN CCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc2c(c1)OCO2 ZINC000006149726 569015059 /nfs/dbraw/zinc/01/50/59/569015059.db2.gz FTBBMANDOXNZOR-FQEVSTJZSA-N 0 1 409.438 3.802 50 30 HHEAMN C=CCc1cc(OC)ccc1OC[C@H](O)CN1CCN(c2cccc(Cl)c2)CC1 ZINC000020109730 569018678 /nfs/dbraw/zinc/01/86/78/569018678.db2.gz VBAYAUJHYYTFOC-OAQYLSRUSA-N 0 1 416.949 3.639 50 30 HHEAMN COCCN1C(=O)C(=O)C(C(=O)c2cc3ccccc3o2)[C@H]1c1ccc(N(C)C)cc1 ZINC000006732457 569103523 /nfs/dbraw/zinc/10/35/23/569103523.db2.gz RLYVWNOPEPJNQX-OAQYLSRUSA-N 0 1 420.465 3.724 50 30 HHEAMN C=CCC[C@H](O)CN(Cc1nc2sc3c(c2c(=O)[nH]1)CC[C@@H](C)C3)CC(C)C ZINC000169680177 569126701 /nfs/dbraw/zinc/12/67/01/569126701.db2.gz QXBWSIXUXTWQJK-CVEARBPZSA-N 0 1 403.592 3.895 50 30 HHEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2cccc(O)c2)cc1 ZINC000017138137 569275483 /nfs/dbraw/zinc/27/54/83/569275483.db2.gz NYJZYUHIQMEJRP-HXUWFJFHSA-N 0 1 405.406 3.772 50 30 HHEAMN CCOc1cc(C(=O)OCC(=O)[C@H](C#N)c2nc(C)cs2)ccc1OCC(C)C ZINC000007779317 569309259 /nfs/dbraw/zinc/30/92/59/569309259.db2.gz TZIGJXCNRLPBSE-INIZCTEOSA-N 0 1 416.499 3.918 50 30 HHEAMN CCOc1cc(C(=O)OCC(=O)C(C#N)c2nc(C)cs2)ccc1OCC(C)C ZINC000007779317 569309261 /nfs/dbraw/zinc/30/92/61/569309261.db2.gz TZIGJXCNRLPBSE-INIZCTEOSA-N 0 1 416.499 3.918 50 30 HHEAMN COc1cc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2cc(C)on2)ccc1O ZINC000008770922 571117311 /nfs/dbraw/zinc/11/73/11/571117311.db2.gz VGAMCHNVYWYRIP-QGZVFWFLSA-N 0 1 412.423 3.542 50 30 HHEAMN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc([N+](=O)[O-])cc2)s1 ZINC000008926638 571160274 /nfs/dbraw/zinc/16/02/74/571160274.db2.gz BMXHOSWSWRLACE-MRXNPFEDSA-N 0 1 422.422 3.538 50 30 HHEAMN COc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccccc2F)c1 ZINC000009244353 571241214 /nfs/dbraw/zinc/24/12/14/571241214.db2.gz FFVBPPUUOSHBAC-LJQANCHMSA-N 0 1 408.385 3.914 50 30 HHEAMN COc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2ccccc2F)c1 ZINC000009244354 571241264 /nfs/dbraw/zinc/24/12/64/571241264.db2.gz FFVBPPUUOSHBAC-IBGZPJMESA-N 0 1 408.385 3.914 50 30 HHEAMN Cc1cc(=O)[nH]c(SCC(=O)N2CCC(c3nc4ccccc4s3)CC2)c1C#N ZINC000009376804 571252942 /nfs/dbraw/zinc/25/29/42/571252942.db2.gz XUTLYBMSMCKLOL-UHFFFAOYSA-N 0 1 424.551 3.663 50 30 HHEAMN CC=CC=CC(=O)Nc1ccc(C(=O)C(C#N)c2nc(C(=O)OCC)cs2)cc1 ZINC000253424309 970561513 /nfs/dbraw/zinc/56/15/13/970561513.db2.gz DGKBMWUEIWSJKA-HRWSBURQSA-N 0 1 409.467 3.881 50 30 HHEAMN O=C1CCCCC1=CNc1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000001199765 557238499 /nfs/dbraw/zinc/23/84/99/557238499.db2.gz CAXBGKOYTRQBQP-BUHFOSPRSA-N 0 1 401.444 3.835 50 30 HHEAMN COc1cc(C=Nn2c(=S)[nH]nc2-c2ccccc2)cc(Br)c1O ZINC000001473750 557269747 /nfs/dbraw/zinc/26/97/47/557269747.db2.gz OQIQXIQSCZVSOJ-GIJQJNRQSA-N 0 1 405.277 3.967 50 30 HHEAMN CCc1ccc(N2C(=O)C(=CNc3ccc(F)c(Cl)c3)C(=O)NC2=S)cc1 ZINC000004738578 557589820 /nfs/dbraw/zinc/58/98/20/557589820.db2.gz AAVLTLKCJGGYCE-KHAGQWAKSA-N 0 1 403.866 3.808 50 30 HHEAMN COc1ccc(/C=N/N=C2/NC(=O)C(Cc3ccc(Cl)cc3)S2)cc1OC ZINC000005047569 557629644 /nfs/dbraw/zinc/62/96/44/557629644.db2.gz ZBOVXTDKKCUTDP-RYFGYPJOSA-N 0 1 403.891 3.521 50 30 HHEAMN CN(C)c1ccc(C=[NH+]Nc2nnc3c4cc(Br)ccc4nc-3[n-]2)cc1 ZINC000005549626 557660831 /nfs/dbraw/zinc/66/08/31/557660831.db2.gz ZASFKJIVKUNGJA-KEBDBYFISA-N 0 1 410.279 3.781 50 30 HHEAMN COc1ccc(CCN(C)CC(=O)N(C)[C@@H](C#N)c2ccccc2Cl)cc1OC ZINC000005668521 557667686 /nfs/dbraw/zinc/66/76/86/557667686.db2.gz PVXGSHSRWXPZLD-IBGZPJMESA-N 0 1 415.921 3.555 50 30 HHEAMN O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1ccc(O)cc1)c1ccc(Cl)cc1 ZINC000006720081 557717099 /nfs/dbraw/zinc/71/70/99/557717099.db2.gz NEEBPSMKJOHBIB-MJGOQNOKSA-N 0 1 413.857 3.803 50 30 HHEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc(O)c1 ZINC000006786077 557720918 /nfs/dbraw/zinc/72/09/18/557720918.db2.gz OXESYAPAOSSIMJ-SFHVURJKSA-N 0 1 401.846 3.660 50 30 HHEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(O)cc2)cc1 ZINC000005800625 557796734 /nfs/dbraw/zinc/79/67/34/557796734.db2.gz JWJQGGWBRMSOFL-NRFANRHFSA-N 0 1 400.434 3.874 50 30 HHEAMN CN1C(=O)C(=O)C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000009087201 557822074 /nfs/dbraw/zinc/82/20/74/557822074.db2.gz IGAVFKWOUSMGQH-HNNXBMFYSA-N 0 1 417.215 3.565 50 30 HHEAMN CCCCN(CCCC)c1nc2ccccc2nc1C(C#N)C(=O)NCCCOC ZINC000004328620 558260553 /nfs/dbraw/zinc/26/05/53/558260553.db2.gz YNKXIWSRADWZGE-SFHVURJKSA-N 0 1 411.550 3.796 50 30 HHEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccccc2)cc1C ZINC000019928745 558308850 /nfs/dbraw/zinc/30/88/50/558308850.db2.gz PWATYHDCLDEJHB-JOCHJYFZSA-N 0 1 420.509 3.700 50 30 HHEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccccc2F)cc1 ZINC000020171060 558343335 /nfs/dbraw/zinc/34/33/35/558343335.db2.gz AURPMZSYPFKSDI-OAQYLSRUSA-N 0 1 424.472 3.530 50 30 HHEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(F)cc2)cc1 ZINC000020189049 558344406 /nfs/dbraw/zinc/34/44/06/558344406.db2.gz FSIRCGYXCXUTQV-OAQYLSRUSA-N 0 1 424.472 3.530 50 30 HHEAMN Cc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000020438758 558363497 /nfs/dbraw/zinc/36/34/97/558363497.db2.gz LIUGBRWBMQAABB-JOCHJYFZSA-N 0 1 422.525 3.922 50 30 HHEAMN CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccccc2)cc1 ZINC000013003098 558501033 /nfs/dbraw/zinc/50/10/33/558501033.db2.gz OHFCYCTVKMOZOK-JOCHJYFZSA-N 0 1 422.525 3.861 50 30 HHEAMN CC(C)COc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccccc2)cc1 ZINC000013003098 558501035 /nfs/dbraw/zinc/50/10/35/558501035.db2.gz OHFCYCTVKMOZOK-JOCHJYFZSA-N 0 1 422.525 3.861 50 30 HHEAMN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(C[C@H]4CCCO4)[C@@H]3c3ccccc3)ccc2O1 ZINC000016734735 558802560 /nfs/dbraw/zinc/80/25/60/558802560.db2.gz YTMUEDRHVNYOJV-YIFZBPKDSA-N 0 1 419.477 3.767 50 30 HHEAMN Cc1cc(OCC(=O)ONC(=N)Cc2ccc(Cl)cc2)ccc1Br ZINC000004936947 559212026 /nfs/dbraw/zinc/21/20/26/559212026.db2.gz PQYQLOWWZYLHJO-UHFFFAOYSA-N 0 1 411.683 3.848 50 30 HHEAMN CCCCc1ccc(CC2S/C(=N\N=C\c3ccc(O)c(OC)c3)NC2=O)cc1 ZINC000005234016 560547928 /nfs/dbraw/zinc/54/79/28/560547928.db2.gz JTGFGJXHEZBHPS-RXULLKCLSA-N 0 1 411.527 3.908 50 30 HHEAMN C=CCN1C(=O)NC(=O)C(=C(CC)NCCC(c2ccccc2)c2ccccc2)C1=O ZINC000005625185 560633686 /nfs/dbraw/zinc/63/36/86/560633686.db2.gz NCBFNSDTXBBOOC-QURGRASLSA-N 0 1 417.509 3.727 50 30 HHEAMN CCCOc1cccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCN(C)C)c1 ZINC000018188516 560781703 /nfs/dbraw/zinc/78/17/03/560781703.db2.gz JIWGPJBRVVFNPO-OAQYLSRUSA-N 0 1 408.498 3.615 50 30 HHEAMN C=CCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000101293901 560791084 /nfs/dbraw/zinc/79/10/84/560791084.db2.gz XRUWNUIAMBVJQH-MOBKVPTQSA-N 0 1 420.509 3.543 50 30 HHEAMN C=CCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCN(C)C)cc1 ZINC000101293901 560791085 /nfs/dbraw/zinc/79/10/85/560791085.db2.gz XRUWNUIAMBVJQH-MOBKVPTQSA-N 0 1 420.509 3.543 50 30 HHEAMN C=CCOc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCN(C)C)c1 ZINC000101313326 560791497 /nfs/dbraw/zinc/79/14/97/560791497.db2.gz GREIDRLRZQLTDB-MOBKVPTQSA-N 0 1 420.509 3.543 50 30 HHEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@H]1c1cccc(Cl)c1 ZINC000102505485 560812861 /nfs/dbraw/zinc/81/28/61/560812861.db2.gz PEPAQRMDBWWAOT-LFVOPCPISA-N 0 1 415.873 3.807 50 30 HHEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(OC)cc1 ZINC000102727762 560821970 /nfs/dbraw/zinc/82/19/70/560821970.db2.gz DPKWRJFSNQMUEZ-WOOAAIBNSA-N 0 1 415.873 3.807 50 30 HHEAMN O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(Cc2cccnc2)[C@H]1c1ccccn1 ZINC000102805671 560827230 /nfs/dbraw/zinc/82/72/30/560827230.db2.gz KRMKRIWSEOVBPS-WOOAAIBNSA-N 0 1 405.841 3.752 50 30 HHEAMN CCOc1cc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2cc(C)on2)ccc1O ZINC000102859757 560831274 /nfs/dbraw/zinc/83/12/74/560831274.db2.gz GRJGYEPSQSSJBA-WOOAAIBNSA-N 0 1 424.409 3.615 50 30 HHEAMN CCc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)C(=O)C(=O)N2C[C@@H]2CCCO2)cc1 ZINC000102859983 560831300 /nfs/dbraw/zinc/83/13/00/560831300.db2.gz JCAVWZDUIZNPEG-XZIUATRESA-N 0 1 421.493 3.858 50 30 HHEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCCOC)cc1 ZINC000102860940 560831742 /nfs/dbraw/zinc/83/17/42/560831742.db2.gz PGHFWUALPIJJIK-JBCNATCCSA-N 0 1 409.482 3.852 50 30 HHEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1 ZINC000102865570 560832741 /nfs/dbraw/zinc/83/27/41/560832741.db2.gz LNGDTNCTJHUYTM-GHNGSUTGSA-N 0 1 403.837 3.937 50 30 HHEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC(C)C)c(C)c2)[C@@H]1c1ccncc1 ZINC000104009383 560847557 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Cc1nnc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccc(F)cc2)s1 ZINC000006813467 569136794 /nfs/dbraw/zinc/13/67/94/569136794.db2.gz FDUQYSBRKFYPHG-CQSZACIVSA-N 0 1 401.444 3.830 50 30 HHEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@H]2c2ccc(F)cc2)cc1 ZINC000006381515 569279870 /nfs/dbraw/zinc/27/98/70/569279870.db2.gz XXVOOXVVCXBTCK-FQEVSTJZSA-N 0 1 411.429 3.615 50 30 HHEAMN N=C(Nc1cc(Cl)cc(Cl)c1)Nc1ncc(C(=O)c2ccccc2O)cn1 ZINC000008515380 571067837 /nfs/dbraw/zinc/06/78/37/571067837.db2.gz CMYJIPOKGKJKBH-UHFFFAOYSA-N 0 1 402.241 3.778 50 30 HHEAMN Cn1ccnc1Sc1ccc(C=NNc2nncc3ccccc32)cc1[N+](=O)[O-] ZINC000254494724 970574256 /nfs/dbraw/zinc/57/42/56/970574256.db2.gz YXQVHABSVXRZLR-UHFFFAOYSA-N 0 1 405.443 3.869 50 30 HHEAMN O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(Cc2cccnc2)[C@H]1c1ccncc1 ZINC000004312557 557539527 /nfs/dbraw/zinc/53/95/27/557539527.db2.gz QDMQTSOGWUYXCQ-IBGZPJMESA-N 0 1 405.841 3.909 50 30 HHEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2cccs2)cc1 ZINC000005408545 557651676 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CC(C)c1nnc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccccn2)s1 ZINC000013692400 558856165 /nfs/dbraw/zinc/85/61/65/558856165.db2.gz ZEZKPASYMVPCSQ-AWEZNQCLSA-N 0 1 412.496 3.901 50 30 HHEAMN O=C(C1=C(O)C(=O)N(CCc2c[nH]cn2)[C@H]1c1ccc(F)cc1)c1ccc(F)cc1 ZINC000004626065 558890247 /nfs/dbraw/zinc/89/02/47/558890247.db2.gz SZHMYDSQOYABIE-IBGZPJMESA-N 0 1 409.392 3.509 50 30 HHEAMN O=C(c1ccc(F)cc1)C1C(=O)C(=O)N(CCc2cnc[nH]2)[C@H]1c1ccc(F)cc1 ZINC000004626065 558890250 /nfs/dbraw/zinc/89/02/50/558890250.db2.gz SZHMYDSQOYABIE-IBGZPJMESA-N 0 1 409.392 3.509 50 30 HHEAMN COC(=O)C(=CC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(Br)cc1 ZINC000100567178 559136608 /nfs/dbraw/zinc/13/66/08/559136608.db2.gz YMDNJTUXSUQYFE-GDNBJRDFSA-N 0 1 405.204 3.709 50 30 HHEAMN CCC1S/C(=N/N=C/c2cccc([N+](=O)[O-])c2)N(Cc2ccc(F)cc2)C1=O ZINC000004934431 559211070 /nfs/dbraw/zinc/21/10/70/559211070.db2.gz PSZLSWIRGPJCIQ-DTRPWHDBSA-N 0 1 400.435 3.978 50 30 HHEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C)cc2)cc1 ZINC000101287341 560790726 /nfs/dbraw/zinc/79/07/26/560790726.db2.gz FEQQIALMRFICIT-MOBKVPTQSA-N 0 1 420.509 3.543 50 30 HHEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C)cc2)cc1 ZINC000101287341 560790727 /nfs/dbraw/zinc/79/07/27/560790727.db2.gz FEQQIALMRFICIT-MOBKVPTQSA-N 0 1 420.509 3.543 50 30 HHEAMN O=C(C1=C(O)C(=O)N(c2ncccn2)[C@H]1c1cccc(Cl)c1)c1ccc(F)cc1 ZINC000102707436 560820833 /nfs/dbraw/zinc/82/08/33/560820833.db2.gz MOEPEFOXWFKUFT-HVESIFNPSA-N 0 1 409.804 3.895 50 30 HHEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)no1 ZINC000102803549 560826632 /nfs/dbraw/zinc/82/66/32/560826632.db2.gz XUQKIIWNGGBCAT-GHNGSUTGSA-N 0 1 423.356 3.657 50 30 HHEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc(O)c1 ZINC000102799807 560828313 /nfs/dbraw/zinc/82/83/13/560828313.db2.gz MQKKGLYFMKSFFY-GHNGSUTGSA-N 0 1 401.846 3.504 50 30 HHEAMN CCOc1ccc([C@H]2C(C(=O)c3cccs3)C(=O)C(=O)N2C[C@H]2CCCO2)cc1 ZINC000102927472 560834490 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Cc1c(C)n(Cc2ccco2)c(NC(=O)CN(C)[C@@H](C)Cc2ccc(O)cc2)c1C#N ZINC000079099660 569427316 /nfs/dbraw/zinc/42/73/16/569427316.db2.gz BKTAOBDNXHAXOL-INIZCTEOSA-N 0 1 420.513 3.825 50 30 HHEAMN COc1ccc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2cc(C)on2)cc1OC ZINC000009329220 571248453 /nfs/dbraw/zinc/24/84/53/571248453.db2.gz UBAYKTVBYHISDG-IBGZPJMESA-N 0 1 424.409 3.685 50 30 HHEAMN COc1ccccc1NS(=O)(=O)c1ccc(C)c(NC(=O)c2ccc(C#N)cc2)c1 ZINC000009662438 571277696 /nfs/dbraw/zinc/27/76/96/571277696.db2.gz CTAZOOWXVCKQDA-UHFFFAOYSA-N 0 1 421.478 3.928 50 30 HHEAMN Cc1cc(=O)[nH]c(SCC(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)c1C#N ZINC000009713800 571281512 /nfs/dbraw/zinc/28/15/12/571281512.db2.gz DRGYKFUOCJXOLX-CQSZACIVSA-N 0 1 424.551 3.663 50 30 HHEAMN CCOc1cc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2cc(C)on2)ccc1O ZINC000009470999 961646062 /nfs/dbraw/zinc/64/60/62/961646062.db2.gz HBPDTLBBQROETM-LJQANCHMSA-N 0 1 424.409 3.772 50 30 HHEAMN C=CCN(C[C@H](O)COc1ccccc1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146666 518776120 /nfs/dbraw/zinc/77/61/20/518776120.db2.gz GWYHXZKNWSHKOV-FPOVZHCZSA-N 0 1 400.906 3.761 50 30 HHEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@H]2c2ccccc2OC)cc1 ZINC000102879932 523378312 /nfs/dbraw/zinc/37/83/12/523378312.db2.gz OWVQBDNHIORVOP-MRJHHRETSA-N 0 1 419.433 3.919 50 30 HHEAMN Cc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000020438763 525985490 /nfs/dbraw/zinc/98/54/90/525985490.db2.gz LIUGBRWBMQAABB-QFIPXVFZSA-N 0 1 422.525 3.922 50 30 HHEAMN COc1ccc(-c2n[nH]c(=S)n2N=Cc2cc(OC)c(OC)c(OC)c2)cc1 ZINC000001473632 557269522 /nfs/dbraw/zinc/26/95/22/557269522.db2.gz LUHQPBXHUQDLRN-RGVLZGJSSA-N 0 1 400.460 3.524 50 30 HHEAMN C=CCOc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nnc(C)s2)cc1 ZINC000002501869 557352899 /nfs/dbraw/zinc/35/28/99/557352899.db2.gz NCHLKERMDMBWOV-QGZVFWFLSA-N 0 1 423.450 3.787 50 30 HHEAMN CCCOc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000020193471 558344809 /nfs/dbraw/zinc/34/48/09/558344809.db2.gz JFPZMPPGPFEDTJ-LJQANCHMSA-N 0 1 414.527 3.677 50 30 HHEAMN O=C(c1ccccc1)C1C(=O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000017860270 558828442 /nfs/dbraw/zinc/82/84/42/558828442.db2.gz QQBBAHFEJJAFNO-FQEVSTJZSA-N 0 1 415.405 3.768 50 30 HHEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccccn2)cc1 ZINC000013570411 558844354 /nfs/dbraw/zinc/84/43/54/558844354.db2.gz MHWUCRZQIKZQSQ-NRFANRHFSA-N 0 1 415.449 3.654 50 30 HHEAMN C#CC1(OC[C@@H](O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)CCCCC1 ZINC000023118517 559013429 /nfs/dbraw/zinc/01/34/29/559013429.db2.gz SDKXUWMRKYQIFU-FQEVSTJZSA-N 0 1 410.480 3.541 50 30 in-man HHEAMN N#Cc1ccc(CN2CCN(c3nc(-c4cccnc4)nc4ccccc43)CC2)cc1 ZINC000024014025 559187429 /nfs/dbraw/zinc/18/74/29/559187429.db2.gz XTEWXWRHERBWTQ-UHFFFAOYSA-N 0 1 406.493 3.886 50 30 HHEAMN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCOC)[C@H]2c2cccnc2)c(C)c1 ZINC000005027668 559230492 /nfs/dbraw/zinc/23/04/92/559230492.db2.gz MPQWHZFRWIOHKY-NRFANRHFSA-N 0 1 424.497 3.794 50 30 HHEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(OC(C)C)cc2)o1 ZINC000018010089 560750048 /nfs/dbraw/zinc/75/00/48/560750048.db2.gz BSCLKRALXPBAIA-FQEVSTJZSA-N 0 1 412.486 3.515 50 30 HHEAMN O=C(C1=C(O)C(=O)N(c2ccccn2)[C@@H]1c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000102522026 560815907 /nfs/dbraw/zinc/81/59/07/560815907.db2.gz DAUHGSJLVROKBF-LFVOPCPISA-N 0 1 419.368 3.755 50 30 HHEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2cccc([N+](=O)[O-])c2)no1 ZINC000102692050 560819939 /nfs/dbraw/zinc/81/99/39/560819939.db2.gz JGRVUHXABSTZSO-SELCWUDQSA-N 0 1 405.366 3.518 50 30 HHEAMN COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccccn2)[C@@H]1c1cccnc1 ZINC000102742794 560823614 /nfs/dbraw/zinc/82/36/14/560823614.db2.gz PGOSFQJDPHJACM-LFVOPCPISA-N 0 1 421.840 3.765 50 30 HHEAMN C[C@H]1CCCN(c2nc3ccccc3nc2C(C#N)S(=O)(=O)c2cccs2)C1 ZINC000102753342 560825755 /nfs/dbraw/zinc/82/57/55/560825755.db2.gz JMNZQKQCZMXZDL-YOEHRIQHSA-N 0 1 412.540 3.966 50 30 HHEAMN CCOc1ccc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2cc(C)on2)cc1 ZINC000102805568 560827141 /nfs/dbraw/zinc/82/71/41/560827141.db2.gz FTJGKWCWZLEXIR-WOOAAIBNSA-N 0 1 408.410 3.909 50 30 HHEAMN Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@@H]2c2ccc(F)cc2)s1 ZINC000102882932 560833908 /nfs/dbraw/zinc/83/39/08/560833908.db2.gz MFHKEVKFOKYECP-MRPLLJTBSA-N 0 1 401.444 3.673 50 30 HHEAMN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccc(F)cc2)s1 ZINC000102882932 560833911 /nfs/dbraw/zinc/83/39/11/560833911.db2.gz MFHKEVKFOKYECP-MRPLLJTBSA-N 0 1 401.444 3.673 50 30 HHEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccncc3)[C@H]2c2ccccc2F)cc1 ZINC000104183687 560849252 /nfs/dbraw/zinc/84/92/52/560849252.db2.gz KECMGTXPUAPFFM-MRJHHRETSA-N 0 1 418.424 3.851 50 30 HHEAMN COc1ccc(C(=O)N2CC[C@]3(C2)Nc2cccnc2N=C3NC2CCCC2)c(C)c1 ZINC000096310005 568724125 /nfs/dbraw/zinc/72/41/25/568724125.db2.gz PJRYDYUIQBUGFC-XMMPIXPASA-N 0 1 419.529 3.862 50 30 biogenic HHEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2cccc([N+](=O)[O-])c2)no1 ZINC000005800552 568735577 /nfs/dbraw/zinc/73/55/77/568735577.db2.gz HSABCBDHBDNSFW-SFHVURJKSA-N 0 1 405.366 3.674 50 30 HHEAMN C#CCn1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c2ccccc21 ZINC000000682044 569005850 /nfs/dbraw/zinc/00/58/50/569005850.db2.gz ANOYUESZGUPKKZ-VBKFSLOCSA-N 0 1 419.893 3.759 50 30 HHEAMN C[C@@H]1CCCN(c2nc3ccccc3nc2C(C#N)S(=O)(=O)c2cccs2)C1 ZINC000245310665 569055634 /nfs/dbraw/zinc/05/56/34/569055634.db2.gz JMNZQKQCZMXZDL-PBHICJAKSA-N 0 1 412.540 3.966 50 30 HHEAMN CC(C)Oc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000006781939 569120458 /nfs/dbraw/zinc/12/04/58/569120458.db2.gz UKPBGRTUXLCSSS-LFVOPCPISA-N 0 1 414.527 3.519 50 30 HHEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2ccc(C)cc2)cc1 ZINC000006813217 569136768 /nfs/dbraw/zinc/13/67/68/569136768.db2.gz YQXBUCFOYKTONZ-CTNGQTDRSA-N 0 1 407.466 3.761 50 30 HHEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ncccn3)[C@H]2c2ccc(F)cc2)cc1 ZINC000008779549 571118469 /nfs/dbraw/zinc/11/84/69/571118469.db2.gz GITCNCIEHAUMFG-IBGZPJMESA-N 0 1 419.412 3.797 50 30 HHEAMN COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2cc(C)on2)c1 ZINC000009460992 571260548 /nfs/dbraw/zinc/26/05/48/571260548.db2.gz JIYIXVNAQWBVBP-IBGZPJMESA-N 0 1 424.409 3.685 50 30 HHEAMN C=CCOc1ccccc1CN1CCC[C@H](CNS(=O)(=O)Cc2ccccc2)C1 ZINC000012431449 962279544 /nfs/dbraw/zinc/27/95/44/962279544.db2.gz RZHVARBOUWJWDW-OAQYLSRUSA-N 0 1 414.571 3.583 50 30 HHEAMN C=CCOc1c(Cl)cc(/C=C2/C(=O)NN(c3ccc(C)c(C)c3)C2=O)cc1OC ZINC000015769167 962861955 /nfs/dbraw/zinc/86/19/55/962861955.db2.gz NADKKRSHIFTVJA-YVLHZVERSA-N 0 1 412.873 3.992 50 30 HHEAMN Cc1cccc(N2C(=O)C(=CNc3sc4c(c3C#N)CCCC4)C(=O)NC2=S)c1 ZINC000008496926 132330261 /nfs/dbraw/zinc/33/02/61/132330261.db2.gz DSUYQRUODJGKTM-LFIBNONCSA-N 0 1 422.535 3.551 50 30 HHEAMN COCc1cc(C)nc([N-][NH+]=Cc2ccc(N(C)C)c(Br)c2)c1C#N ZINC000032138845 522917468 /nfs/dbraw/zinc/91/74/68/522917468.db2.gz CDPSDYVBEGPWRF-FBHDLOMBSA-N 0 1 402.296 3.683 50 30 HHEAMN COc1ccccc1C=Nn1c(=S)[nH]nc1-c1cc(OC)c(OC)c(OC)c1 ZINC000006007448 557684220 /nfs/dbraw/zinc/68/42/20/557684220.db2.gz JMJIMQKPKIJYPB-RGVLZGJSSA-N 0 1 400.460 3.524 50 30 HHEAMN CN1C(=O)C(=O)C(C(=O)c2ccc(Br)cc2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000009110645 557823998 /nfs/dbraw/zinc/82/39/98/557823998.db2.gz OJHGMONPRGFOCK-OAHLLOKOSA-N 0 1 417.215 3.565 50 30 HHEAMN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2cccc([N+](=O)[O-])c2)s1 ZINC000009462634 557843641 /nfs/dbraw/zinc/84/36/41/557843641.db2.gz XYMJBDPFSKGTCC-MRXNPFEDSA-N 0 1 422.422 3.538 50 30 HHEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccccc2)c(C)c1 ZINC000019928914 558309187 /nfs/dbraw/zinc/30/91/87/558309187.db2.gz IOWSFRSRPRTWMM-JOCHJYFZSA-N 0 1 420.509 3.700 50 30 HHEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccccc2)c(C)c1 ZINC000019928914 558309189 /nfs/dbraw/zinc/30/91/89/558309189.db2.gz IOWSFRSRPRTWMM-JOCHJYFZSA-N 0 1 420.509 3.700 50 30 HHEAMN COc1ccccc1[C@@H]1C(C(=O)c2cc3ccccc3o2)=C(O)C(=O)N1CCN(C)C ZINC000020135541 558337549 /nfs/dbraw/zinc/33/75/49/558337549.db2.gz YIYGLQRRSNSQOO-OAQYLSRUSA-N 0 1 420.465 3.581 50 30 HHEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(F)cc2)cc1 ZINC000020189046 558344357 /nfs/dbraw/zinc/34/43/57/558344357.db2.gz FSIRCGYXCXUTQV-NRFANRHFSA-N 0 1 424.472 3.530 50 30 HHEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)cc2C)[C@@H]1c1cccnc1 ZINC000017112385 558822758 /nfs/dbraw/zinc/82/27/58/558822758.db2.gz QBBGNIPZWCBFAJ-NRFANRHFSA-N 0 1 424.497 3.650 50 30 HHEAMN COc1ccc(/C=N/N=C2/NC(=O)C(Cc3ccc(Br)cc3)S2)cc1 ZINC000018209045 558833581 /nfs/dbraw/zinc/83/35/81/558833581.db2.gz CRBSQWNFRXNHMX-YODDIOPGSA-N 0 1 418.316 3.622 50 30 HHEAMN C#CC1(OC[C@H](O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)CCCCC1 ZINC000023118515 559013421 /nfs/dbraw/zinc/01/34/21/559013421.db2.gz SDKXUWMRKYQIFU-HXUWFJFHSA-N 0 1 410.480 3.541 50 30 in-man HHEAMN C=CCc1cc(/C=C2\C(=O)NC(=O)N(C3CCCCC3)C2=O)cc(OCC)c1OC ZINC000004783816 559062878 /nfs/dbraw/zinc/06/28/78/559062878.db2.gz JVKSZUVXOUXSTN-QGOAFFKASA-N 0 1 412.486 3.617 50 30 HHEAMN Cc1ccc([C@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCCn2ccnc2)cc1 ZINC000096300441 559108974 /nfs/dbraw/zinc/10/89/74/559108974.db2.gz OOACPXDVCXQTAT-NRFANRHFSA-N 0 1 401.466 3.860 50 30 HHEAMN C[C@@H]1CCCN(c2nc3ccccc3nc2C(C#N)C(=O)NCCc2ccccc2)C1 ZINC000004860515 559193136 /nfs/dbraw/zinc/19/31/36/559193136.db2.gz CBALFVVIWBBBOK-UYAOXDASSA-N 0 1 413.525 3.832 50 30 HHEAMN COc1ccc(/C=N/N=C2\NC(=O)C(Cc3cccc(C(F)(F)F)c3)S2)cc1 ZINC000018209023 560784410 /nfs/dbraw/zinc/78/44/10/560784410.db2.gz MJGOHLWVCWZWTB-IMQYADFFSA-N 0 1 407.417 3.878 50 30 HHEAMN COc1ccc([C@@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2Cc2ccco2)c(OC)c1 ZINC000102539830 560814045 /nfs/dbraw/zinc/81/40/45/560814045.db2.gz QYWKNEJRTHUVMX-JBCNATCCSA-N 0 1 419.433 3.919 50 30 HHEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)no1 ZINC000102800597 560828557 /nfs/dbraw/zinc/82/85/57/560828557.db2.gz WHWOMRBEXZZHEP-WOOAAIBNSA-N 0 1 419.393 3.826 50 30 HHEAMN O=C(c1ccccc1)C1C(=O)C(=O)N(Cc2cccnc2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000102881070 560833795 /nfs/dbraw/zinc/83/37/95/560833795.db2.gz MHHHGIKVIFNUMC-NHFXJNLRSA-N 0 1 415.405 3.612 50 30 HHEAMN CCOc1ccc([C@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2cc(C)on2)cc1OC ZINC000102886027 560834094 /nfs/dbraw/zinc/83/40/94/560834094.db2.gz JYVHDBNAXAAZIG-WOOAAIBNSA-N 0 1 424.409 3.610 50 30 HHEAMN CCOc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2cc(C)on2)cc1OC ZINC000102886027 560834096 /nfs/dbraw/zinc/83/40/96/560834096.db2.gz JYVHDBNAXAAZIG-WOOAAIBNSA-N 0 1 424.409 3.610 50 30 HHEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccs2)cc1 ZINC000102927930 560834551 /nfs/dbraw/zinc/83/45/51/560834551.db2.gz PFIKHSBRKBCWOT-WOOAAIBNSA-N 0 1 414.527 3.520 50 30 HHEAMN COc1ccc([C@@H]2C/C(=N/O)[C@@H](C)[C@@H](c3ccc(OC)c(OC)c3)N2)cc1OC ZINC000103540679 560843094 /nfs/dbraw/zinc/84/30/94/560843094.db2.gz AWCKUYBPQYAMFK-CCIUMIMASA-N 0 1 400.475 3.963 50 30 HHEAMN C=CCOc1ccc([C@H]2c3c(n[nH]c3-c3c(C)cc(C)cc3O)C(=O)N2CCO)cc1 ZINC000006743269 568459136 /nfs/dbraw/zinc/45/91/36/568459136.db2.gz DABGCUASXPNJJT-QHCPKHFHSA-N 0 1 419.481 3.501 50 30 HHEAMN CCCOc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000006783469 568459374 /nfs/dbraw/zinc/45/93/74/568459374.db2.gz CKNIZYBWLZGEJN-WOOAAIBNSA-N 0 1 414.527 3.520 50 30 HHEAMN COCC[NH+](CCOC)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccc(Cl)cc1)O2 ZINC000020533228 568629650 /nfs/dbraw/zinc/62/96/50/568629650.db2.gz OONDYOQHFHOEJL-MOSHPQCFSA-N 0 1 417.889 3.757 50 30 HHEAMN N#Cc1c(=O)[nH]c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nc1-c1ccco1 ZINC000031773918 568931102 /nfs/dbraw/zinc/93/11/02/568931102.db2.gz HXFHCZHXEGZNTD-UHFFFAOYSA-N 0 1 421.265 3.939 50 30 HHEAMN COc1ccc(Br)cc1CN(C)CCC(=O)Nc1ccccc1C#N ZINC000012776177 568954403 /nfs/dbraw/zinc/95/44/03/568954403.db2.gz DGURRNIODGCGKB-UHFFFAOYSA-N 0 1 402.292 3.790 50 30 HHEAMN Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccc(Cl)c2)s1 ZINC000004312092 568961044 /nfs/dbraw/zinc/96/10/44/568961044.db2.gz PQIZRXSPQDCHLI-INIZCTEOSA-N 0 1 419.934 3.553 50 30 HHEAMN O=C(c1ccccc1)C1C(=O)C(=O)N(Cc2cccnc2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000018062988 569006124 /nfs/dbraw/zinc/00/61/24/569006124.db2.gz FKVWRADRRPJAPT-HXUWFJFHSA-N 0 1 415.405 3.768 50 30 HHEAMN CCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc2c(c1)OCO2 ZINC000006149714 569014971 /nfs/dbraw/zinc/01/49/71/569014971.db2.gz FTBBMANDOXNZOR-HXUWFJFHSA-N 0 1 409.438 3.802 50 30 HHEAMN CCCOc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000006783463 569120767 /nfs/dbraw/zinc/12/07/67/569120767.db2.gz CKNIZYBWLZGEJN-LFVOPCPISA-N 0 1 414.527 3.520 50 30 HHEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2cccc(F)c2)cc1 ZINC000017138610 569275497 /nfs/dbraw/zinc/27/54/97/569275497.db2.gz HNUCEVOYYOJETJ-ICSRJNTNSA-N 0 1 411.429 3.592 50 30 HHEAMN COc1ccc(CNC(=O)C(C#N)c2nc3ccccc3nc2N2CCCCC2)cc1 ZINC000002299778 569369963 /nfs/dbraw/zinc/36/99/63/569369963.db2.gz 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COc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccccc2)cc1 ZINC000096471179 559110530 /nfs/dbraw/zinc/11/05/30/559110530.db2.gz FETFHMHERSRWBS-OAQYLSRUSA-N 0 1 417.465 3.560 50 30 HHEAMN COc1cc2c(cc1OC)C(=NNC1=NC(C)(C)Cc3ccccc31)NC(C)(C)C2 ZINC000005101865 559246580 /nfs/dbraw/zinc/24/65/80/559246580.db2.gz SJOANUXRSJOCJF-UHFFFAOYSA-N 0 1 406.530 3.661 50 30 HHEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2ccc(F)cc2)cc1 ZINC000017720058 560723812 /nfs/dbraw/zinc/72/38/12/560723812.db2.gz RRVLTZAFAAMDRA-ICSRJNTNSA-N 0 1 411.429 3.592 50 30 HHEAMN C=CCOc1ccc([C@@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCCOC)cc1 ZINC000102506580 560812847 /nfs/dbraw/zinc/81/28/47/560812847.db2.gz DNTGQYHQLDOBNF-JBCNATCCSA-N 0 1 407.466 3.710 50 30 HHEAMN COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(F)cc2)c1 ZINC000102510231 560814879 /nfs/dbraw/zinc/81/48/79/560814879.db2.gz GLPBRPVRSJVJMP-MRJHHRETSA-N 0 1 418.424 3.851 50 30 HHEAMN Cc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccccc2)cc1 ZINC000102510816 560815115 /nfs/dbraw/zinc/81/51/15/560815115.db2.gz RADIMLHXOAMVNP-JBCNATCCSA-N 0 1 401.466 3.704 50 30 HHEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000102800007 560828398 /nfs/dbraw/zinc/82/83/98/560828398.db2.gz XGNYVPGNTCTVRF-WOOAAIBNSA-N 0 1 415.873 3.807 50 30 HHEAMN O=C(c1ccc(F)cc1)C1C(=O)C(=O)N(CCCn2ccnc2)[C@H]1c1ccc(F)cc1 ZINC000102874013 560830472 /nfs/dbraw/zinc/83/04/72/560830472.db2.gz YBJHWQSHNYAAFC-NHFXJNLRSA-N 0 1 423.419 3.673 50 30 HHEAMN COc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccccc2F)c1 ZINC000102895071 560833242 /nfs/dbraw/zinc/83/32/42/560833242.db2.gz GRTKJPZBEFVESA-LFVOPCPISA-N 0 1 408.385 3.757 50 30 HHEAMN CCOc1ccc([C@@H]2C(C(=O)c3cccs3)C(=O)C(=O)N2C[C@@H]2CCCO2)cc1 ZINC000102927457 560834450 /nfs/dbraw/zinc/83/44/50/560834450.db2.gz MAKUNYQOVPTZNL-CGZQDKKZSA-N 0 1 413.495 3.748 50 30 HHEAMN C=CCN1C(=O)c2n[nH]c(-c3cc(C)ccc3O)c2[C@H]1c1ccc(OC)c(OC)c1 ZINC000012063453 560888207 /nfs/dbraw/zinc/88/82/07/560888207.db2.gz DLDJTVHUCURBAC-JOCHJYFZSA-N 0 1 405.454 3.839 50 30 HHEAMN CCCOc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCN(C)C)c1 ZINC000020229700 568595163 /nfs/dbraw/zinc/59/51/63/568595163.db2.gz XCISXGYXSRVHGN-QFIPXVFZSA-N 0 1 422.525 3.924 50 30 HHEAMN Cc1ccc([C@@H]2C(C(=O)c3cc(C)c(C)cc3[O-])=C(O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000020310040 568598452 /nfs/dbraw/zinc/59/84/52/568598452.db2.gz VAJVNTPKNPWYCY-JOCHJYFZSA-N 0 1 422.525 3.847 50 30 HHEAMN O=C([N-]S(=O)(=O)Cc1ccc(Cl)nc1)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000095461510 568620638 /nfs/dbraw/zinc/62/06/38/568620638.db2.gz PQGXSFDRGUKVLU-QGZVFWFLSA-N 0 1 407.923 3.576 50 30 HHEAMN O=C([N-]S(=O)(=O)Cc1ccc(Cl)nc1)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000095461510 568620639 /nfs/dbraw/zinc/62/06/39/568620639.db2.gz PQGXSFDRGUKVLU-QGZVFWFLSA-N 0 1 407.923 3.576 50 30 HHEAMN COc1ccc(CCc2nc(NC(=O)C3(c4ccccc4)CCOCC3)n[nH]2)cc1 ZINC000095475662 568630068 /nfs/dbraw/zinc/63/00/68/568630068.db2.gz WGIKXMKNFWYHAG-UHFFFAOYSA-N 0 1 406.486 3.935 50 30 HHEAMN COc1ccc(CCc2n[nH]c(NC(=O)C3(c4ccccc4)CCOCC3)n2)cc1 ZINC000095475662 568630070 /nfs/dbraw/zinc/63/00/70/568630070.db2.gz WGIKXMKNFWYHAG-UHFFFAOYSA-N 0 1 406.486 3.935 50 30 HHEAMN CC(C)(C)NC1=Nc2ncccc2N[C@@]12CCN(C(=O)NCc1cccc(F)c1)C2 ZINC000096310079 568674250 /nfs/dbraw/zinc/67/42/50/568674250.db2.gz SVRCTSXFVSKCSI-JOCHJYFZSA-N 0 1 410.497 3.609 50 30 biogenic HHEAMN CCOc1ccc(-c2n[nH]c(=S)n2N=Cc2ccc(OC(C)=O)c(OC)c2)cc1 ZINC000005959511 568832478 /nfs/dbraw/zinc/83/24/78/568832478.db2.gz BPRZWTQPLWHJKZ-CIAFOILYSA-N 0 1 412.471 3.822 50 30 HHEAMN C=CCc1cccc(CNc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)c1O ZINC000009546574 568986874 /nfs/dbraw/zinc/98/68/74/568986874.db2.gz AHVPKFVSZVPFEZ-UHFFFAOYSA-N 0 1 424.526 3.940 50 30 HHEAMN C#CCn1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)c2ccccc21 ZINC000001161050 569006383 /nfs/dbraw/zinc/00/63/83/569006383.db2.gz AHEFDUBRJKDKSU-DEDYPNTBSA-N 0 1 413.502 3.723 50 30 HHEAMN C[C@@H](C(=O)Nc1cccc(C#N)c1)N(C)CCCc1cc(-c2ccc(F)cc2)n(C)n1 ZINC000040155672 571202731 /nfs/dbraw/zinc/20/27/31/571202731.db2.gz TXSPSZDOBZUMOF-KRWDZBQOSA-N 0 1 419.504 3.989 50 30 HHEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2cc(C)on2)cc1OC ZINC000009244005 571241004 /nfs/dbraw/zinc/24/10/04/571241004.db2.gz MUTRVXSMVLHADA-LJQANCHMSA-N 0 1 424.409 3.766 50 30 HHEAMN COCc1c(C(=O)OCC(=O)[C@H](C#N)c2nc(C)cs2)sc2cccc(F)c21 ZINC000009244942 571241224 /nfs/dbraw/zinc/24/12/24/571241224.db2.gz KCLBWUFZFDHMMM-NSHDSACASA-N 0 1 418.471 3.985 50 30 HHEAMN COCc1c(C(=O)OCC(=O)C(C#N)c2nc(C)cs2)sc2cccc(F)c21 ZINC000009244942 571241226 /nfs/dbraw/zinc/24/12/26/571241226.db2.gz KCLBWUFZFDHMMM-NSHDSACASA-N 0 1 418.471 3.985 50 30 HHEAMN C[C@H]1CCCN(c2nc3ccccc3nc2C(C#N)S(=O)(=O)c2ccccc2)C1 ZINC000004325668 132275454 /nfs/dbraw/zinc/27/54/54/132275454.db2.gz WWWHUAIJESDEEB-OXJNMPFZSA-N 0 1 406.511 3.905 50 30 HHEAMN C=CCN(C[C@H](O)COc1ccccc1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146667 518776689 /nfs/dbraw/zinc/77/66/89/518776689.db2.gz GWYHXZKNWSHKOV-PZJWPPBQSA-N 0 1 400.906 3.761 50 30 HHEAMN COc1ccc(-c2n[nH]c(=S)n2N=Cc2cc(OC)c(OC)cc2OC)cc1 ZINC000001249168 557251457 /nfs/dbraw/zinc/25/14/57/557251457.db2.gz ULUNZOQCZIDLRR-RGVLZGJSSA-N 0 1 400.460 3.524 50 30 HHEAMN COc1ccc(-c2n[nH]c(=S)n2N=Cc2ccc(OC)c(OC)c2OC)cc1 ZINC000005578663 557663005 /nfs/dbraw/zinc/66/30/05/557663005.db2.gz RVZSVSAMASIINM-RGVLZGJSSA-N 0 1 400.460 3.524 50 30 HHEAMN O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccccn1 ZINC000005814197 557676075 /nfs/dbraw/zinc/67/60/75/557676075.db2.gz NPCULPNZQCNGDE-LJQANCHMSA-N 0 1 405.841 3.909 50 30 HHEAMN CCOc1ccccc1C=Nn1c(=S)[nH]nc1-c1cc(OC)c(OC)c(OC)c1 ZINC000005960273 557682639 /nfs/dbraw/zinc/68/26/39/557682639.db2.gz UUWHHRAAWBPHGO-CIAFOILYSA-N 0 1 414.487 3.914 50 30 HHEAMN CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(F)cc1 ZINC000020131198 558337338 /nfs/dbraw/zinc/33/73/38/558337338.db2.gz JABKYZXXEULFGV-GOSISDBHSA-N 0 1 402.853 3.619 50 30 HHEAMN CCOc1cccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@H]2c2ccncc2)c1 ZINC000013119690 558517051 /nfs/dbraw/zinc/51/70/51/558517051.db2.gz UNOPOWALCNACJU-FQEVSTJZSA-N 0 1 404.422 3.852 50 30 HHEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccccn2)cc1C ZINC000017057804 558813363 /nfs/dbraw/zinc/81/33/63/558813363.db2.gz WAVDQVNUBQNHJC-OAQYLSRUSA-N 0 1 415.449 3.572 50 30 HHEAMN Cc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(OC(C)C)cc2)cc1 ZINC000017147173 558824128 /nfs/dbraw/zinc/82/41/28/558824128.db2.gz BNIHDTPBNJWJGC-JOCHJYFZSA-N 0 1 422.525 3.922 50 30 HHEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(OC(C)C)cc2)cc1 ZINC000017147173 558824129 /nfs/dbraw/zinc/82/41/29/558824129.db2.gz BNIHDTPBNJWJGC-JOCHJYFZSA-N 0 1 422.525 3.922 50 30 HHEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cccnc2)cc1C ZINC000018193174 558833131 /nfs/dbraw/zinc/83/31/31/558833131.db2.gz MEJWVVKXXVJXRZ-NRFANRHFSA-N 0 1 415.449 3.572 50 30 HHEAMN C=CCn1cc(/C=C2\C(=O)NC(=S)N(c3ccc(OC)cc3)C2=O)c2ccccc21 ZINC000004739663 559043246 /nfs/dbraw/zinc/04/32/46/559043246.db2.gz MJUVTQUBRZJQQF-CPNJWEJPSA-N 0 1 417.490 3.667 50 30 HHEAMN C[C@H]1CCCN(c2nc3ccccc3nc2C(C#N)C(=O)NCCc2ccccc2)C1 ZINC000004860517 559193077 /nfs/dbraw/zinc/19/30/77/559193077.db2.gz CBALFVVIWBBBOK-AZUAARDMSA-N 0 1 413.525 3.832 50 30 HHEAMN CCOc1cccc(C(=O)C2C(=O)C(=O)N(Cc3ccncc3)[C@H]2c2cccnc2)c1 ZINC000005408603 560583593 /nfs/dbraw/zinc/58/35/93/560583593.db2.gz KCXXKQNOUYHTTN-NRFANRHFSA-N 0 1 415.449 3.654 50 30 HHEAMN CCOc1cccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cccnc2)c1 ZINC000005408597 560583608 /nfs/dbraw/zinc/58/36/08/560583608.db2.gz AOBWWXSHAQTGQQ-NRFANRHFSA-N 0 1 415.449 3.654 50 30 HHEAMN COc1ccc(-c2c(C#N)c(N)nc3c2CN(Cc2ccccc2)CC3)cc1OC ZINC000018222899 560785076 /nfs/dbraw/zinc/78/50/76/560785076.db2.gz CFVALQMSYCKGOO-UHFFFAOYSA-N 0 1 400.482 3.778 50 30 HHEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccc([N+](=O)[O-])cc2)no1 ZINC000102723795 560821535 /nfs/dbraw/zinc/82/15/35/560821535.db2.gz KJXVAKWHONWXQG-IBOXJLQUSA-N 0 1 411.395 3.579 50 30 HHEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc([N+](=O)[O-])cc2)no1 ZINC000102804216 560826828 /nfs/dbraw/zinc/82/68/28/560826828.db2.gz CYCORCAOOBAGCG-SELCWUDQSA-N 0 1 405.366 3.518 50 30 HHEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2ccco2)cc1 ZINC000102874409 560830398 /nfs/dbraw/zinc/83/03/98/560830398.db2.gz DWVYQGZDSJPKGS-GROYHEBESA-N 0 1 410.451 3.988 50 30 HHEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccs2)cc1 ZINC000102927932 560834574 /nfs/dbraw/zinc/83/45/74/560834574.db2.gz PFIKHSBRKBCWOT-LFVOPCPISA-N 0 1 414.527 3.520 50 30 HHEAMN C=CCOC1CCN(C[C@@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)CC1 ZINC000095452705 568615271 /nfs/dbraw/zinc/61/52/71/568615271.db2.gz SQVGWHXRDIJRAB-HSZRJFAPSA-N 0 1 414.571 3.682 50 30 HHEAMN CC(C)(C)NC1=Nc2ncccc2N[C@]12CCN(C(=O)NCc1cccc(F)c1)C2 ZINC000096310080 568674232 /nfs/dbraw/zinc/67/42/32/568674232.db2.gz SVRCTSXFVSKCSI-QFIPXVFZSA-N 0 1 410.497 3.609 50 30 biogenic HHEAMN C=CCNc1c2ccccc2nnc1C(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000096012435 568684838 /nfs/dbraw/zinc/68/48/38/568684838.db2.gz YWWYPEMAZDRNJR-IBGZPJMESA-N 0 1 415.541 3.964 50 30 HHEAMN CCOc1cc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nccs2)ccc1O ZINC000096336515 568736816 /nfs/dbraw/zinc/73/68/16/568736816.db2.gz VNEPBDGULRAWKY-MRXNPFEDSA-N 0 1 412.423 3.623 50 30 HHEAMN N#Cc1cccc(NC(=O)CSc2nc(-c3ccccc3Br)n[nH]2)c1 ZINC000002656469 568797947 /nfs/dbraw/zinc/79/79/47/568797947.db2.gz IEDZQLXKZAZCMD-UHFFFAOYSA-N 0 1 414.288 3.837 50 30 HHEAMN COc1cc([N+](=O)[O-])cc(/C=C2\S/C(=N\c3ccccc3Cl)NC2=O)c1O ZINC000003208829 568861840 /nfs/dbraw/zinc/86/18/40/568861840.db2.gz CAJGERPQLFZDJY-AUWJEWJLSA-N 0 1 405.819 3.854 50 30 HHEAMN N#Cc1ccsc1NC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1 ZINC000004270366 568956560 /nfs/dbraw/zinc/95/65/60/568956560.db2.gz LUSYSPFHPJQMNK-UHFFFAOYSA-N 0 1 401.444 3.812 50 30 HHEAMN CCOc1cccc(-c2n[nH]c(=S)n2N=Cc2cc(OC)c(O)c(OC)c2)c1 ZINC000001478999 569000695 /nfs/dbraw/zinc/00/06/95/569000695.db2.gz PXFMAXXTWIDWCZ-RGVLZGJSSA-N 0 1 400.460 3.611 50 30 HHEAMN COc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(F)cc2)c1 ZINC000006160814 569015879 /nfs/dbraw/zinc/01/58/79/569015879.db2.gz BLWZVQBAXDSFQA-LJQANCHMSA-N 0 1 408.385 3.914 50 30 HHEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccccc2)cc1 ZINC000006728038 569102225 /nfs/dbraw/zinc/10/22/25/569102225.db2.gz TUTDEIYPOUEQRY-NRFANRHFSA-N 0 1 400.434 3.869 50 30 HHEAMN C=CCOc1ccc([C@@H]2c3c(n[nH]c3-c3c(C)cc(C)cc3O)C(=O)N2CCO)cc1 ZINC000006743267 569107937 /nfs/dbraw/zinc/10/79/37/569107937.db2.gz DABGCUASXPNJJT-HSZRJFAPSA-N 0 1 419.481 3.501 50 30 HHEAMN Nc1ccc([N+](=O)[O-])cc1C(=[NH+][N-]c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1 ZINC000252616368 569301379 /nfs/dbraw/zinc/30/13/79/569301379.db2.gz JZXHSPKHZNSAID-UHFFFAOYSA-N 0 1 422.357 3.858 50 30 HHEAMN COCCN1C(=O)C(=O)C(C(=O)c2cccs2)[C@H]1c1ccc(Br)cc1 ZINC000019927241 569363468 /nfs/dbraw/zinc/36/34/68/569363468.db2.gz KKMFPBYNZXHHKD-OAHLLOKOSA-N 0 1 422.300 3.735 50 30 HHEAMN COC(=O)c1c(F)cc(C#N)cc1NCc1ccc(CN2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000079057982 569426048 /nfs/dbraw/zinc/42/60/48/569426048.db2.gz VKBOMHAOOBYDFY-HOTGVXAUSA-N 0 1 411.477 3.705 50 30 HHEAMN C[C@H](C(=O)Nc1cccc(C#N)c1)N(C)CCCc1cc(-c2ccc(F)cc2)n(C)n1 ZINC000040155673 571202604 /nfs/dbraw/zinc/20/26/04/571202604.db2.gz TXSPSZDOBZUMOF-QGZVFWFLSA-N 0 1 419.504 3.989 50 30 HHEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2C)[C@@H]1c1ccc(C)cc1 ZINC000009175220 571234291 /nfs/dbraw/zinc/23/42/91/571234291.db2.gz CPFJZCSMPZALDP-NRFANRHFSA-N 0 1 409.482 3.927 50 30 HHEAMN CC(=O)C1=C2Nc3ccccc3N2C(=O)[C@H](NC(=O)c2ccccc2)[C@H]1c1ccccc1 ZINC000009644741 571276134 /nfs/dbraw/zinc/27/61/34/571276134.db2.gz FBDGJYLEOZOVLA-XZOQPEGZSA-N 0 1 423.472 3.842 50 30 HHEAMN C=CCC[C@H](O)CN1CCN(c2nc(C)nc(C)c2Cc2cc(C)ccc2C)CC1 ZINC000036340303 518728001 /nfs/dbraw/zinc/72/80/01/518728001.db2.gz KQGKFQZYABXRPK-QHCPKHFHSA-N 0 1 408.590 3.750 50 30 HHEAMN 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HVLNVTKRPZUDGQ-AHWVRZQESA-N 0 1 406.570 3.573 50 30 HHEAMN C=C(C)CN1CCN(c2cc(C)nc3c(C)c(-c4ccc(OC)c(OC)c4)nn32)CC1 ZINC000023118867 518606984 /nfs/dbraw/zinc/60/69/84/518606984.db2.gz OPCREVNBAUGJBW-UHFFFAOYSA-N 0 1 421.545 3.728 50 30 HHEAMN C=CCOC[C@@H](O)CN(Cc1cccc(F)c1)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000036146818 518989625 /nfs/dbraw/zinc/98/96/25/518989625.db2.gz IKIQBRWKZMGAPU-VXKWHMMOSA-N 0 1 416.468 3.524 50 30 HHEAMN C=CCOC[C@H](O)CN(Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000036146606 518993015 /nfs/dbraw/zinc/99/30/15/518993015.db2.gz YEIYKKMGEAXLGM-YADHBBJMSA-N 0 1 416.468 3.524 50 30 HHEAMN CCCN1CCN(CC(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)CC1 ZINC000020568801 519857578 /nfs/dbraw/zinc/85/75/78/519857578.db2.gz KQIHDXNQFFHYTF-INIZCTEOSA-N 0 1 402.608 3.737 50 30 HHEAMN COc1cc([C@H]2c3cc4c(cc3NC3=C2C(=O)CCC3)OCO4)cc([N+](=O)[O-])c1O ZINC000018196861 522969964 /nfs/dbraw/zinc/96/99/64/522969964.db2.gz KFMJGHJYGBIGOI-IBGZPJMESA-N 0 1 410.382 3.602 50 30 HHEAMN COc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2cc(C)on2)cc1 ZINC000102715616 525212764 /nfs/dbraw/zinc/21/27/64/525212764.db2.gz YUOVKHXTWGUMPC-LFVOPCPISA-N 0 1 408.385 3.757 50 30 HHEAMN C=CCOc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCN(C)C)c1 ZINC000004427162 557554518 /nfs/dbraw/zinc/55/45/18/557554518.db2.gz UPZTZUNOZLARFB-QFIPXVFZSA-N 0 1 420.509 3.700 50 30 HHEAMN C=CCc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)cc(OCC)c1O ZINC000002982526 557777366 /nfs/dbraw/zinc/77/73/66/557777366.db2.gz HHVVELBZEUAWBK-SFQUDFHCSA-N 0 1 422.506 3.659 50 30 HHEAMN COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2nncs2)cc1 ZINC000008744031 557804282 /nfs/dbraw/zinc/80/42/82/557804282.db2.gz AVWBETWPCOWMMH-QGZVFWFLSA-N 0 1 407.451 3.638 50 30 HHEAMN CN1C(=O)C(=O)C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000009088708 557822628 /nfs/dbraw/zinc/82/26/28/557822628.db2.gz IGAVFKWOUSMGQH-OAHLLOKOSA-N 0 1 417.215 3.565 50 30 HHEAMN O=C(C1=C(O)C(=O)N(c2ccccn2)[C@@H]1c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000009313355 557836337 /nfs/dbraw/zinc/83/63/37/557836337.db2.gz NKSKUIXVLOPIME-LJQANCHMSA-N 0 1 419.368 3.912 50 30 HHEAMN Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1cccnc1 ZINC000009969635 557852591 /nfs/dbraw/zinc/85/25/91/557852591.db2.gz LUWTVYVEIWJWIL-QFIPXVFZSA-N 0 1 424.460 3.816 50 30 HHEAMN COc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000020132634 558337243 /nfs/dbraw/zinc/33/72/43/558337243.db2.gz ZQFWFWRXMHYWAP-OAQYLSRUSA-N 0 1 420.465 3.581 50 30 HHEAMN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCOC)[C@H]2c2ccncc2)cc1C ZINC000013003146 558501380 /nfs/dbraw/zinc/50/13/80/558501380.db2.gz MYGHLRSDUVSONM-NRFANRHFSA-N 0 1 424.497 3.794 50 30 HHEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccc(F)c2)cc1 ZINC000016733203 558802404 /nfs/dbraw/zinc/80/24/04/558802404.db2.gz AYTAUVVWLAWBSQ-OAQYLSRUSA-N 0 1 424.472 3.530 50 30 HHEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1cccnc1 ZINC000017137691 558823561 /nfs/dbraw/zinc/82/35/61/558823561.db2.gz WUNPHSSKFHUTLA-OAQYLSRUSA-N 0 1 424.497 3.650 50 30 HHEAMN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000018084862 558830864 /nfs/dbraw/zinc/83/08/64/558830864.db2.gz NJZDKRKOXMUNCE-JOCHJYFZSA-N 0 1 420.509 3.700 50 30 HHEAMN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCN(C)C)cc1 ZINC000018084862 558830866 /nfs/dbraw/zinc/83/08/66/558830866.db2.gz NJZDKRKOXMUNCE-JOCHJYFZSA-N 0 1 420.509 3.700 50 30 HHEAMN CC(C)c1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000005563573 560619059 /nfs/dbraw/zinc/61/90/59/560619059.db2.gz AYBQUROSPJFBDR-MRJHHRETSA-N 0 1 410.489 3.932 50 30 HHEAMN COc1ccc(/C=N/N=C2\NC(=O)C(Cc3cccc(C(F)(F)F)c3)S2)cc1 ZINC000018209019 560784396 /nfs/dbraw/zinc/78/43/96/560784396.db2.gz MJGOHLWVCWZWTB-BRUSPLQXSA-N 0 1 407.417 3.878 50 30 HHEAMN CCc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000102499442 560812516 /nfs/dbraw/zinc/81/25/16/560812516.db2.gz CYJQNNARXSIVKS-HOGKFDNTSA-N 0 1 422.525 3.549 50 30 HHEAMN CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1Cl ZINC000102650450 560818989 /nfs/dbraw/zinc/81/89/89/560818989.db2.gz SFKMNTZSZDIURN-GHNGSUTGSA-N 0 1 419.308 3.977 50 30 HHEAMN COc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2cc(C)on2)c1 ZINC000102805617 560827114 /nfs/dbraw/zinc/82/71/14/560827114.db2.gz UAAPLPXSVDZZKP-WOOAAIBNSA-N 0 1 408.385 3.757 50 30 HHEAMN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc(F)cc2)s1 ZINC000102797298 560827962 /nfs/dbraw/zinc/82/79/62/560827962.db2.gz BMONJCCXMAHADJ-UYTDBDHRSA-N 0 1 413.405 3.751 50 30 HHEAMN O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccncc1 ZINC000102859954 560831287 /nfs/dbraw/zinc/83/12/87/560831287.db2.gz VLGMXOCDCJMBAZ-LFVOPCPISA-N 0 1 405.841 3.752 50 30 HHEAMN C=CCOc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCN(C)C)c1 ZINC000020233226 568595323 /nfs/dbraw/zinc/59/53/23/568595323.db2.gz ZLMKRMZHFQSDFM-NRFANRHFSA-N 0 1 424.472 3.530 50 30 HHEAMN O=C([N-]S(=O)(=O)Cc1ccc(Cl)nc1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000095461511 568620680 /nfs/dbraw/zinc/62/06/80/568620680.db2.gz PQGXSFDRGUKVLU-KRWDZBQOSA-N 0 1 407.923 3.576 50 30 HHEAMN O=C([N-]S(=O)(=O)Cc1ccc(Cl)nc1)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000095461511 568620681 /nfs/dbraw/zinc/62/06/81/568620681.db2.gz PQGXSFDRGUKVLU-KRWDZBQOSA-N 0 1 407.923 3.576 50 30 HHEAMN CSc1nc(N2CCN(Cc3ccccc3)CC2)c2c(c1C#N)CC(C)(C)OC2 ZINC000095476406 568630448 /nfs/dbraw/zinc/63/04/48/568630448.db2.gz UREJRLHDDFCMCN-UHFFFAOYSA-N 0 1 408.571 3.849 50 30 HHEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc([N+](=O)[O-])cc2)no1 ZINC000005800506 568735228 /nfs/dbraw/zinc/73/52/28/568735228.db2.gz BWNHKSMMODOHDZ-GOSISDBHSA-N 0 1 405.366 3.674 50 30 HHEAMN C=CCN1C(=O)NC(=O)C(=Cc2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C1=O ZINC000001062388 568766569 /nfs/dbraw/zinc/76/65/69/568766569.db2.gz GSAVRXQYVUXVNR-UKTHLTGXSA-N 0 1 401.762 3.996 50 30 HHEAMN N#Cc1c(NC(=O)CCN2CCN(c3ccc(O)cc3)CC2)sc2c1CCCCC2 ZINC000057293348 568826178 /nfs/dbraw/zinc/82/61/78/568826178.db2.gz HDZJDFFHSJJUTC-UHFFFAOYSA-N 0 1 424.570 3.745 50 30 HHEAMN C=CCOC(=O)C1C(C)=NC(=O)N[C@@H]1c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000004035867 568879570 /nfs/dbraw/zinc/87/95/70/568879570.db2.gz DOEVIDRSAFGRKU-HXUWFJFHSA-N 0 1 420.494 3.958 50 30 HHEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C)o2)cc1 ZINC000004312364 568961097 /nfs/dbraw/zinc/96/10/97/568961097.db2.gz JWBGMUTWTLXVCR-FQEVSTJZSA-N 0 1 412.486 3.517 50 30 HHEAMN S=C1N=NC(c2[nH]nc3c2CCC3)N1N=Cc1ccc(OCc2ccccc2)cc1 ZINC000006785949 569121813 /nfs/dbraw/zinc/12/18/13/569121813.db2.gz IFJBDJDTCSUQGT-YDZHTSKRSA-N 0 1 416.510 3.907 50 30 HHEAMN Cc1oc(NC(=O)[C@H](C)N2CCC[C@@H](c3ncc(C(F)(F)F)[nH]3)C2)c(C#N)c1C ZINC000252537564 569293067 /nfs/dbraw/zinc/29/30/67/569293067.db2.gz LOQASHDHXMJCEC-WCQYABFASA-N 0 1 409.412 3.717 50 30 HHEAMN CCOc1cc(C(=O)OCC(=O)[C@@H](C#N)c2nc(C)cs2)ccc1OCC(C)C ZINC000007779316 569309223 /nfs/dbraw/zinc/30/92/23/569309223.db2.gz TZIGJXCNRLPBSE-MRXNPFEDSA-N 0 1 416.499 3.918 50 30 HHEAMN CCOc1cc(C(=O)OCC(=O)C(C#N)c2nc(C)cs2)ccc1OCC(C)C ZINC000007779316 569309224 /nfs/dbraw/zinc/30/92/24/569309224.db2.gz TZIGJXCNRLPBSE-MRXNPFEDSA-N 0 1 416.499 3.918 50 30 HHEAMN O=C(c1cccc([N+](=O)[O-])c1)C1C(=O)C(=O)N(Cc2ccco2)[C@@H]1c1ccc(O)cc1 ZINC000009433871 571258579 /nfs/dbraw/zinc/25/85/79/571258579.db2.gz ZAMBNLBNAHKCCC-LJQANCHMSA-N 0 1 420.377 3.672 50 30 HHEAMN C#C[C@](C)(CC)OC[C@@H](O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000022918238 518357373 /nfs/dbraw/zinc/35/73/73/518357373.db2.gz HVLNVTKRPZUDGQ-AZGAKELHSA-N 0 1 406.570 3.573 50 30 HHEAMN CCCCCCCOC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCN(CC)CC1 ZINC000038141545 520061900 /nfs/dbraw/zinc/06/19/00/520061900.db2.gz HQTLCVCYBDIKNX-IBGZPJMESA-N 0 1 423.561 3.892 50 30 HHEAMN COc1ccc(C=Nn2c(=S)[nH]nc2-c2ccc(OC)c(OC)c2)c(OC)c1 ZINC000001475984 557269848 /nfs/dbraw/zinc/26/98/48/557269848.db2.gz FIKXBHUNDSKEKX-RGVLZGJSSA-N 0 1 400.460 3.524 50 30 HHEAMN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)ONC(=N)Cc1ccc([N+](=O)[O-])cc1 ZINC000004803912 557598974 /nfs/dbraw/zinc/59/89/74/557598974.db2.gz JEHOHFBZUHHASV-JTQLQIEISA-N 0 1 412.229 3.727 50 30 HHEAMN COc1cc(OC)c(OC)cc1C=Nn1c(=S)[nH]nc1-c1ccc(N(C)C)cc1 ZINC000005810141 557675699 /nfs/dbraw/zinc/67/56/99/557675699.db2.gz ILCSTIJABPRCFV-CIAFOILYSA-N 0 1 413.503 3.582 50 30 HHEAMN CC(C)(C)c1ccc([C@@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCOCCO)cc1 ZINC000006693050 557715329 /nfs/dbraw/zinc/71/53/29/557715329.db2.gz WMCLUKZUUPOWFW-OAQYLSRUSA-N 0 1 423.509 3.571 50 30 HHEAMN COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2nncs2)cc1 ZINC000008744030 557804397 /nfs/dbraw/zinc/80/43/97/557804397.db2.gz AVWBETWPCOWMMH-KRWDZBQOSA-N 0 1 407.451 3.638 50 30 HHEAMN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccs2)cc1 ZINC000009360443 557839739 /nfs/dbraw/zinc/83/97/39/557839739.db2.gz UUMFVQGZXKWPMQ-LJQANCHMSA-N 0 1 414.527 3.675 50 30 HHEAMN Cc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCN(C)C)o1 ZINC000019956438 558315026 /nfs/dbraw/zinc/31/50/26/558315026.db2.gz KZYCYAALAPERGD-HXUWFJFHSA-N 0 1 412.486 3.515 50 30 HHEAMN COc1cc(C(=O)OCC(=O)[C@H](C#N)c2nc(C)cs2)cc(Cl)c1OC(C)C ZINC000013017153 558504239 /nfs/dbraw/zinc/50/42/39/558504239.db2.gz PKLSPGCQGJZGAJ-ZDUSSCGKSA-N 0 1 422.890 3.934 50 30 HHEAMN COc1cc(C(=O)OCC(=O)C(C#N)c2nc(C)cs2)cc(Cl)c1OC(C)C ZINC000013017153 558504242 /nfs/dbraw/zinc/50/42/42/558504242.db2.gz PKLSPGCQGJZGAJ-ZDUSSCGKSA-N 0 1 422.890 3.934 50 30 HHEAMN N=C(Cc1ccc(Cl)cc1)NOC(=O)c1ccc(I)cc1 ZINC000013880371 558599477 /nfs/dbraw/zinc/59/94/77/558599477.db2.gz BBICOBHKSDGSTQ-UHFFFAOYSA-N 0 1 414.630 3.616 50 30 HHEAMN COc1cc(C=NN=c2[nH]c3ccccc3[nH]2)cc(I)c1OC ZINC000016195153 558777855 /nfs/dbraw/zinc/77/78/55/558777855.db2.gz UOLMUDQKDCRUME-GIJQJNRQSA-N 0 1 422.226 3.631 50 30 HHEAMN CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000019582738 558937597 /nfs/dbraw/zinc/93/75/97/558937597.db2.gz VUIRZZFUHFXXIE-GOSISDBHSA-N 0 1 402.853 3.619 50 30 HHEAMN N#Cc1ccsc1NC(=O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000021822135 558953648 /nfs/dbraw/zinc/95/36/48/558953648.db2.gz LRVBLSIRKIKYOQ-UHFFFAOYSA-N 0 1 416.550 3.965 50 30 HHEAMN COc1ccc(C(=N)NOC(=O)c2nc(-c3ccccc3)n3c2CCCCC3)cc1 ZINC000098211045 559127235 /nfs/dbraw/zinc/12/72/35/559127235.db2.gz VTSMTFFDULMNKP-UHFFFAOYSA-N 0 1 404.470 3.762 50 30 HHEAMN CCOc1cccc(C(=O)C2C(=O)C(=O)N(Cc3ccncc3)[C@@H]2c2cccnc2)c1 ZINC000005408622 560583771 /nfs/dbraw/zinc/58/37/71/560583771.db2.gz KCXXKQNOUYHTTN-OAQYLSRUSA-N 0 1 415.449 3.654 50 30 HHEAMN COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(F)cc2)c1 ZINC000102510243 560814876 /nfs/dbraw/zinc/81/48/76/560814876.db2.gz GLPBRPVRSJVJMP-JBCNATCCSA-N 0 1 418.424 3.851 50 30 HHEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(OC(C)C)c(C)c2)[C@H]1c1cccs1 ZINC000102692912 560819942 /nfs/dbraw/zinc/81/99/42/560819942.db2.gz KGRAESWUOUYUQI-LFVOPCPISA-N 0 1 415.511 3.912 50 30 HHEAMN CCCOc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2cc(C)on2)cc1 ZINC000102705406 560820564 /nfs/dbraw/zinc/82/05/64/560820564.db2.gz DCTHGMQWFZTKNR-LFVOPCPISA-N 0 1 408.410 3.991 50 30 HHEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccc([N+](=O)[O-])cc2)no1 ZINC000102803545 560826544 /nfs/dbraw/zinc/82/65/44/560826544.db2.gz XUQKIIWNGGBCAT-SELCWUDQSA-N 0 1 423.356 3.657 50 30 HHEAMN COc1cccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cccs2)c1 ZINC000102858588 560831139 /nfs/dbraw/zinc/83/11/39/560831139.db2.gz ZNJXTRFCMCOOPY-WOOAAIBNSA-N 0 1 406.463 3.774 50 30 HHEAMN O=C(c1ccccc1)C1C(=O)C(=O)N(CCCn2ccnc2)[C@@H]1c1ccc(F)cc1 ZINC000102859374 560831281 /nfs/dbraw/zinc/83/12/81/560831281.db2.gz WZHIJKGQYGXRHB-YDJIHCHBSA-N 0 1 405.429 3.534 50 30 HHEAMN CN(C)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1ccc(F)cc1 ZINC000102864583 560832440 /nfs/dbraw/zinc/83/24/40/560832440.db2.gz ZHIUZMZIAINVOM-YDJIHCHBSA-N 0 1 408.429 3.555 50 30 HHEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2cccnc2)cc1 ZINC000102895146 560833194 /nfs/dbraw/zinc/83/31/94/560833194.db2.gz FUUJDXRFQCVNNQ-YDJIHCHBSA-N 0 1 419.437 3.793 50 30 HHEAMN CCOC(=O)c1sc(N=Cc2c(C)[nH]n(-c3ccc(F)cc3)c2=O)c(C#N)c1C ZINC000005717740 560844799 /nfs/dbraw/zinc/84/47/99/560844799.db2.gz LOJZNSHHXKXXMH-YBEGLDIGSA-N 0 1 412.446 3.963 50 30 HHEAMN C=CCOC[C@H](O)CN(Cc1cccc(Cl)c1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104984819 560859106 /nfs/dbraw/zinc/85/91/06/560859106.db2.gz JRECSVGSSQHFRA-FGZHOGPDSA-N 0 1 414.933 3.899 50 30 HHEAMN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000020233292 568595381 /nfs/dbraw/zinc/59/53/81/568595381.db2.gz PKSNSGMOUKYCHQ-OAQYLSRUSA-N 0 1 424.472 3.530 50 30 HHEAMN CCCOc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCN(C)C)c1 ZINC000006419833 569046996 /nfs/dbraw/zinc/04/69/96/569046996.db2.gz KNPPKYBYMYYRGQ-MOBKVPTQSA-N 0 1 422.525 3.767 50 30 HHEAMN Cc1noc(C)c1S(=O)(=O)[N-]C(=O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000089532520 569069884 /nfs/dbraw/zinc/06/98/84/569069884.db2.gz WWFRGMDQCRQGFA-UHFFFAOYSA-N 0 1 413.499 3.639 50 30 HHEAMN CC(C)Oc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000006781950 569120540 /nfs/dbraw/zinc/12/05/40/569120540.db2.gz UKPBGRTUXLCSSS-WOOAAIBNSA-N 0 1 414.527 3.519 50 30 HHEAMN CN(C)c1ccc([C@@H]2C(C(=O)c3cccs3)C(=O)C(=O)N2C[C@H]2CCCO2)cc1 ZINC000006812724 569136539 /nfs/dbraw/zinc/13/65/39/569136539.db2.gz HYCSXHSMNDFCNL-VQIMIIECSA-N 0 1 412.511 3.571 50 30 HHEAMN COc1cccc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2cc(C)on2)c1OC ZINC000008827566 571122535 /nfs/dbraw/zinc/12/25/35/571122535.db2.gz DDZRRCSDDCREHW-GOSISDBHSA-N 0 1 424.409 3.685 50 30 HHEAMN Cc1cc(=O)[nH]c(SCC(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)c1C#N ZINC000009713799 571281469 /nfs/dbraw/zinc/28/14/69/571281469.db2.gz DRGYKFUOCJXOLX-AWEZNQCLSA-N 0 1 424.551 3.663 50 30 HHEAMN C=CCn1c(CCN2CCCCC2)nnc1SCC(=O)c1cc(C)n(CC)c1C ZINC000032777092 519178377 /nfs/dbraw/zinc/17/83/77/519178377.db2.gz GNDQSNANFWPJHR-UHFFFAOYSA-N 0 1 415.607 3.906 50 30 HHEAMN CCc1cc(=O)oc2cc(Oc3nc4ccccc4nc3C(C#N)C(=O)OC)ccc12 ZINC000032923289 523743993 /nfs/dbraw/zinc/74/39/93/523743993.db2.gz UWHKEEVGXZTADZ-INIZCTEOSA-N 0 1 415.405 3.871 50 30 HHEAMN CN(C)c1ccc(/C=N/N=C2/NC(=O)C(Cc3cccc(C(F)(F)F)c3)S2)cc1 ZINC000001221195 557248435 /nfs/dbraw/zinc/24/84/35/557248435.db2.gz HOHXSXNINKFBBK-FQIOEHTJSA-N 0 1 420.460 3.936 50 30 HHEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCO)[C@H]2c2cccc(Cl)c2)cc1 ZINC000002704609 557743479 /nfs/dbraw/zinc/74/34/79/557743479.db2.gz UHQDJWOTLMCCBX-IBGZPJMESA-N 0 1 415.873 3.699 50 30 HHEAMN COc1ccc(CC2S/C(=N/N=C/c3cccnc3)N(Cc3ccco3)C2=O)cc1 ZINC000012195189 558349123 /nfs/dbraw/zinc/34/91/23/558349123.db2.gz VTELDJRYVDPNLH-HHKSSKBBSA-N 0 1 420.494 3.760 50 30 HHEAMN CCc1ccc(NC(=S)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1 ZINC000013878676 558889758 /nfs/dbraw/zinc/88/97/58/558889758.db2.gz GSLTUPMFSAFFHF-UHFFFAOYSA-N 0 1 413.528 3.869 50 30 HHEAMN CCCCCCNC(=O)C(C#N)c1nc2ccccc2nc1N1C[C@@H](C)O[C@H](C)C1 ZINC000004812540 559069587 /nfs/dbraw/zinc/06/95/87/559069587.db2.gz PGVAYZOITNHWPL-KZNAEPCWSA-N 0 1 409.534 3.547 50 30 HHEAMN COc1cc([N+](=O)[O-])cc(/C=N/c2ccc(NC(=O)c3ccco3)c(OC)c2)c1O ZINC000102417376 559150253 /nfs/dbraw/zinc/15/02/53/559150253.db2.gz NQMCHVKQVWAKBV-SRZZPIQSSA-N 0 1 411.370 3.914 50 30 HHEAMN C=CCOc1cc(N(CC)CC)ccc1/C=C1/C(=O)NN(c2ccc(F)cc2)C1=O ZINC000004906142 559201774 /nfs/dbraw/zinc/20/17/74/559201774.db2.gz OSNDFIRFTHMCAY-ZHZULCJRSA-N 0 1 409.461 3.698 50 30 HHEAMN Cc1ccc(-c2nc(S[C@@H](C)C(=O)Nc3ccc(F)cc3)[nH]c(=O)c2C#N)cc1 ZINC000005238317 560548842 /nfs/dbraw/zinc/54/88/42/560548842.db2.gz AOGKZYAWQRAIPD-ZDUSSCGKSA-N 0 1 408.458 3.875 50 30 HHEAMN CC1CCN(c2nc3ccccc3nc2C(C#N)S(=O)(=O)c2cccs2)CC1 ZINC000005252537 560551645 /nfs/dbraw/zinc/55/16/45/560551645.db2.gz MOHJTJLAIOMUDA-KRWDZBQOSA-N 0 1 412.540 3.966 50 30 HHEAMN O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc2c(c1)OCO2)c1ccccc1 ZINC000005448596 560588310 /nfs/dbraw/zinc/58/83/10/560588310.db2.gz IXAAYIFEIVNVJS-NRFANRHFSA-N 0 1 414.417 3.589 50 30 HHEAMN COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccccc2)c1 ZINC000017180105 560702991 /nfs/dbraw/zinc/70/29/91/560702991.db2.gz LPSQLVOLHMQEAC-OAQYLSRUSA-N 0 1 400.434 3.869 50 30 HHEAMN COc1ccc(OC)c(C(=O)C=C(O)C(=O)Nc2ccc(Br)cc2)c1 ZINC000101355625 560792473 /nfs/dbraw/zinc/79/24/73/560792473.db2.gz KGXFSRSECTYHQH-YBEGLDIGSA-N 0 1 406.232 3.730 50 30 HHEAMN CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccccc2)cc1 ZINC000102170093 560808300 /nfs/dbraw/zinc/80/83/00/560808300.db2.gz XSYQEPHLEHOIPA-HOGKFDNTSA-N 0 1 422.525 3.705 50 30 HHEAMN CC(C)COc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccccc2)cc1 ZINC000102170093 560808301 /nfs/dbraw/zinc/80/83/01/560808301.db2.gz XSYQEPHLEHOIPA-HOGKFDNTSA-N 0 1 422.525 3.705 50 30 HHEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@H]2c2cccc(OC)c2)cc1 ZINC000102526516 560816318 /nfs/dbraw/zinc/81/63/18/560816318.db2.gz RUOLHLHPXOZJIH-MRJHHRETSA-N 0 1 419.433 3.919 50 30 HHEAMN O=C(C1=C(O)C(=O)N(c2ncccn2)[C@@H]1c1cccc(Cl)c1)c1ccc(F)cc1 ZINC000102707432 560820805 /nfs/dbraw/zinc/82/08/05/560820805.db2.gz MOEPEFOXWFKUFT-GROYHEBESA-N 0 1 409.804 3.895 50 30 HHEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2cccc([N+](=O)[O-])c2)no1 ZINC000102729158 560822128 /nfs/dbraw/zinc/82/21/28/560822128.db2.gz ZEOCEWCWBYHKAH-SELCWUDQSA-N 0 1 423.356 3.657 50 30 HHEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@H]1c1cccc(O)c1 ZINC000102799803 560828301 /nfs/dbraw/zinc/82/83/01/560828301.db2.gz MQKKGLYFMKSFFY-SELCWUDQSA-N 0 1 401.846 3.504 50 30 HHEAMN CN(C)c1ccc([C@H]2C(C(=O)c3cccs3)C(=O)C(=O)N2Cc2cccnc2)cc1 ZINC000102820417 560829488 /nfs/dbraw/zinc/82/94/88/560829488.db2.gz NEOSETPBSVMPER-NHFXJNLRSA-N 0 1 419.506 3.831 50 30 HHEAMN CN(C)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccc(F)cc1 ZINC000102864584 560832547 /nfs/dbraw/zinc/83/25/47/560832547.db2.gz ZHIUZMZIAINVOM-NHFXJNLRSA-N 0 1 408.429 3.555 50 30 HHEAMN O=C(c1ccccc1)C1C(=O)C(=O)N(Cc2cccnc2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000102881073 560833758 /nfs/dbraw/zinc/83/37/58/560833758.db2.gz MHHHGIKVIFNUMC-YDJIHCHBSA-N 0 1 415.405 3.612 50 30 HHEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1ccc(F)cc1 ZINC000102928226 560834563 /nfs/dbraw/zinc/83/45/63/560834563.db2.gz DJLZFBKBCREURD-NHFXJNLRSA-N 0 1 413.445 3.601 50 30 HHEAMN O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(Cc2cccnc2)[C@@H]1c1cccnc1 ZINC000104182414 560849341 /nfs/dbraw/zinc/84/93/41/560849341.db2.gz KCQRCUASVFUAIC-LFVOPCPISA-N 0 1 405.841 3.752 50 30 HHEAMN N#Cc1nc([C@@H]2C[C@H]2c2ccccc2)oc1N1CCCN(CCc2ccncc2)CC1 ZINC000096346270 568737709 /nfs/dbraw/zinc/73/77/09/568737709.db2.gz SRJMCJQPJNXTFK-FCHUYYIVSA-N 0 1 413.525 3.967 50 30 HHEAMN CCOC(=O)c1sc(NC(=O)c2c(F)c(F)c(OC)c(F)c2F)c(C#N)c1C ZINC000001069400 568766290 /nfs/dbraw/zinc/76/62/90/568766290.db2.gz TXSWGZBEKNXQAK-UHFFFAOYSA-N 0 1 416.352 3.922 50 30 HHEAMN CC1(C)O[C@@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@]2(C(O)=CC=O)O1 ZINC000003985080 568931317 /nfs/dbraw/zinc/93/13/17/568931317.db2.gz YZBGWFSBZCVQPL-RPXWNZHYSA-N 0 1 416.558 3.968 50 30 biogenic HHEAMN C#CCOc1ccc(/C=C2/C(=O)NN(c3ccc(C)c(Cl)c3)C2=O)cc1OCC ZINC000013895755 569000930 /nfs/dbraw/zinc/00/09/30/569000930.db2.gz MRDPIZOVVKSKGM-BOPFTXTBSA-N 0 1 410.857 3.521 50 30 HHEAMN N#Cc1c(=O)[nH]c(SCC(=O)NCc2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000015859804 569015363 /nfs/dbraw/zinc/01/53/63/569015363.db2.gz QIYKDEVDIQUXAS-UHFFFAOYSA-N 0 1 410.886 3.783 50 30 HHEAMN C=CCN(C[C@@H](O)COc1ccccc1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000169679537 569126886 /nfs/dbraw/zinc/12/68/86/569126886.db2.gz GWYHXZKNWSHKOV-CTNGQTDRSA-N 0 1 400.906 3.761 50 30 HHEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@@H]2c2ccc(C)cc2)cc1 ZINC000006309373 569279740 /nfs/dbraw/zinc/27/97/40/569279740.db2.gz MHOLXPPOHCJTHN-OAQYLSRUSA-N 0 1 407.466 3.785 50 30 HHEAMN COc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2cc(C)on2)cc1 ZINC000008743708 571110832 /nfs/dbraw/zinc/11/08/32/571110832.db2.gz KXOZAMDAQLQRIB-IBGZPJMESA-N 0 1 408.385 3.914 50 30 HHEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc([N+](=O)[O-])cc2)no1 ZINC000009328871 571248351 /nfs/dbraw/zinc/24/83/51/571248351.db2.gz KSVNMRUNCKPWDR-LJQANCHMSA-N 0 1 419.393 3.983 50 30 HHEAMN CCc1ccc(N2C(=O)C(=CNc3ccc(F)c(Cl)c3)C(=O)NC2=S)cc1 ZINC000004738577 557589792 /nfs/dbraw/zinc/58/97/92/557589792.db2.gz AAVLTLKCJGGYCE-GGPGUOJZSA-N 0 1 403.866 3.808 50 30 HHEAMN COc1ccc(-c2n[nH]c(=S)n2N=Cc2cc(Br)ccc2O)cc1 ZINC000005578660 557663032 /nfs/dbraw/zinc/66/30/32/557663032.db2.gz JVKLYNSQJNELIP-GIJQJNRQSA-N 0 1 405.277 3.967 50 30 HHEAMN COc1cccc(-c2n[nH]c(=S)n2N=Cc2cc(OC)c(OC)c(OC)c2)c1 ZINC000005932603 557681416 /nfs/dbraw/zinc/68/14/16/557681416.db2.gz FSOJCXDHMCHLSD-RGVLZGJSSA-N 0 1 400.460 3.524 50 30 HHEAMN C=CCOc1ccc([C@@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCCOC)cc1 ZINC000006785991 557721013 /nfs/dbraw/zinc/72/10/13/557721013.db2.gz YLUVTZVPVNETEG-OAQYLSRUSA-N 0 1 407.466 3.866 50 30 HHEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccccc2)cc1C ZINC000019928743 558308831 /nfs/dbraw/zinc/30/88/31/558308831.db2.gz PWATYHDCLDEJHB-QFIPXVFZSA-N 0 1 420.509 3.700 50 30 HHEAMN CCc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000019956507 558314963 /nfs/dbraw/zinc/31/49/63/558314963.db2.gz XFVNOBYECDIVFG-JOCHJYFZSA-N 0 1 422.525 3.706 50 30 HHEAMN CCCOc1cccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccs2)c1 ZINC000019973897 558316828 /nfs/dbraw/zinc/31/68/28/558316828.db2.gz NUSIMDXILZIRJE-IBGZPJMESA-N 0 1 414.527 3.677 50 30 HHEAMN COc1cccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCN(C)C)c1 ZINC000020132277 558337288 /nfs/dbraw/zinc/33/72/88/558337288.db2.gz ODVFBCXKYHKPMZ-NRFANRHFSA-N 0 1 420.465 3.581 50 30 HHEAMN CC(C)Oc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000020228061 558349629 /nfs/dbraw/zinc/34/96/29/558349629.db2.gz ZPZGPMGYFYOFNL-NRFANRHFSA-N 0 1 408.498 3.614 50 30 HHEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000013208334 558525629 /nfs/dbraw/zinc/52/56/29/558525629.db2.gz PLRGVMAETXLRHB-IBGZPJMESA-N 0 1 415.873 3.963 50 30 HHEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccnc2)cc1C ZINC000018069171 558830569 /nfs/dbraw/zinc/83/05/69/558830569.db2.gz MEJWVVKXXVJXRZ-OAQYLSRUSA-N 0 1 415.449 3.572 50 30 HHEAMN O=C(c1ccccc1)C1C(=O)C(=O)N(CCCn2ccnc2)[C@@H]1c1cccc(F)c1 ZINC000085902143 559057818 /nfs/dbraw/zinc/05/78/18/559057818.db2.gz OQIFHDIODJVFEC-HXUWFJFHSA-N 0 1 405.429 3.691 50 30 HHEAMN COc1cccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccccc2)c1 ZINC000096101688 559095434 /nfs/dbraw/zinc/09/54/34/559095434.db2.gz MDTGXLCIOSBXKS-OAQYLSRUSA-N 0 1 417.465 3.560 50 30 HHEAMN O=C(C=CNc1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000100478300 559135624 /nfs/dbraw/zinc/13/56/24/559135624.db2.gz GKABLOOACZWONX-VAWYXSNFSA-N 0 1 413.411 3.797 50 30 HHEAMN CCCCCCCCCOCn1c2ccccc2n(CCN2CCOCC2)c1=N ZINC000100480682 559135631 /nfs/dbraw/zinc/13/56/31/559135631.db2.gz YOCMGJBPZNCHQW-UHFFFAOYSA-N 0 1 402.583 3.979 50 30 HHEAMN O=C(c1ccccc1)C1C(=O)C(=O)N(Cc2ccco2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000018010006 560750210 /nfs/dbraw/zinc/75/02/10/560750210.db2.gz BZGVEQBFFIMWEE-LJQANCHMSA-N 0 1 404.378 3.966 50 30 HHEAMN Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(Cl)cc2)s1 ZINC000018037460 560773404 /nfs/dbraw/zinc/77/34/04/560773404.db2.gz KVQXJEUTZRACHL-MRXNPFEDSA-N 0 1 419.934 3.553 50 30 HHEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)cc2C)[C@H]1c1ccncc1 ZINC000018083142 560774953 /nfs/dbraw/zinc/77/49/53/560774953.db2.gz LRRVOKNHDPQFDH-OAQYLSRUSA-N 0 1 424.497 3.650 50 30 biogenic HHEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(OC(C)C)cc2)cc1 ZINC000102374138 560810646 /nfs/dbraw/zinc/81/06/46/560810646.db2.gz SDRHMAAPPPWJSP-MOBKVPTQSA-N 0 1 422.525 3.766 50 30 HHEAMN COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2cc(C)on2)c1 ZINC000102733922 560822755 /nfs/dbraw/zinc/82/27/55/560822755.db2.gz RWSWXLUYOUEPKZ-WOOAAIBNSA-N 0 1 424.409 3.528 50 30 HHEAMN Cc1nc(C)c(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(F)cc2)s1 ZINC000102749248 560824290 /nfs/dbraw/zinc/82/42/90/560824290.db2.gz FKCZTAPRLGJPQN-SELCWUDQSA-N 0 1 423.469 3.916 50 30 HHEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2cccc([N+](=O)[O-])c2)no1 ZINC000102800583 560828570 /nfs/dbraw/zinc/82/85/70/560828570.db2.gz KYDIVMZZFKJDOO-LFVOPCPISA-N 0 1 419.393 3.826 50 30 HHEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C)s3)[C@H]2c2ccco2)cc1 ZINC000102874411 560830392 /nfs/dbraw/zinc/83/03/92/560830392.db2.gz DWVYQGZDSJPKGS-HVESIFNPSA-N 0 1 410.451 3.988 50 30 HHEAMN CN(C)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1cccc(F)c1 ZINC000102880811 560833806 /nfs/dbraw/zinc/83/38/06/560833806.db2.gz YYVWKSYCSVYHTE-NHFXJNLRSA-N 0 1 408.429 3.555 50 30 HHEAMN Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@H]2c2ccc(F)cc2)s1 ZINC000102882929 560833955 /nfs/dbraw/zinc/83/39/55/560833955.db2.gz MFHKEVKFOKYECP-SXWSKBOKSA-N 0 1 401.444 3.673 50 30 HHEAMN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccc(F)cc2)s1 ZINC000102882929 560833956 /nfs/dbraw/zinc/83/39/56/560833956.db2.gz MFHKEVKFOKYECP-SXWSKBOKSA-N 0 1 401.444 3.673 50 30 HHEAMN CCCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000020231526 568595437 /nfs/dbraw/zinc/59/54/37/568595437.db2.gz CAUQLUYLEBAJCA-QFIPXVFZSA-N 0 1 422.525 3.924 50 30 HHEAMN COc1ccc(CCc2nc(NC(=O)Cn3ccc4cc(OC)ccc43)n[nH]2)cc1 ZINC000095477778 568631288 /nfs/dbraw/zinc/63/12/88/568631288.db2.gz WKSLAJLTCGCWHP-UHFFFAOYSA-N 0 1 405.458 3.850 50 30 HHEAMN COc1ccc(CCc2n[nH]c(NC(=O)Cn3ccc4cc(OC)ccc43)n2)cc1 ZINC000095477778 568631291 /nfs/dbraw/zinc/63/12/91/568631291.db2.gz WKSLAJLTCGCWHP-UHFFFAOYSA-N 0 1 405.458 3.850 50 30 HHEAMN N#Cc1ccc([C@@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccccc2)cc1 ZINC000230034490 568803134 /nfs/dbraw/zinc/80/31/34/568803134.db2.gz KJIUIWMPLJPAED-BDTNDASRSA-N 0 1 413.408 3.748 50 30 HHEAMN CCOc1ccc(-c2n[nH]c(=S)n2N=Cc2c(OC)cc(OC)cc2OC)cc1 ZINC000005900385 568828770 /nfs/dbraw/zinc/82/87/70/568828770.db2.gz OXKRDJPLMPUXFV-CIAFOILYSA-N 0 1 414.487 3.914 50 30 HHEAMN O=[N+]([O-])C(/C=N/OCc1c(Cl)cccc1Cl)S(=O)(=O)c1ccccc1 ZINC000004090501 568942001 /nfs/dbraw/zinc/94/20/01/568942001.db2.gz MHQIVYCLGBZKLL-QANDDYDISA-N 0 1 403.243 3.573 50 30 HHEAMN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(C[C@H]4CCCO4)[C@H]3c3ccccc3)ccc2O1 ZINC000238950589 569053916 /nfs/dbraw/zinc/05/39/16/569053916.db2.gz YTMUEDRHVNYOJV-YOMUGFJLSA-N 0 1 419.477 3.767 50 30 HHEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC(C)C)c(C)c2)[C@H]1c1ccncc1 ZINC000005045166 569071588 /nfs/dbraw/zinc/07/15/88/569071588.db2.gz LRKXDYGAEOPIDW-OAQYLSRUSA-N 0 1 424.497 3.792 50 30 HHEAMN COc1ccc2c(c1)O[C@](O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CC2=O ZINC000002269663 569326610 /nfs/dbraw/zinc/32/66/10/569326610.db2.gz SLOGGCBRACTSEU-JTQLQIEISA-N 0 1 412.204 3.817 50 30 HHEAMN COc1ccc2c(c1)O[C@](O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C=C2O ZINC000002269663 569326612 /nfs/dbraw/zinc/32/66/12/569326612.db2.gz SLOGGCBRACTSEU-JTQLQIEISA-N 0 1 412.204 3.817 50 30 HHEAMN C#C[C@](C)(CC)OC[C@H](O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000022918246 518356707 /nfs/dbraw/zinc/35/67/07/518356707.db2.gz HVLNVTKRPZUDGQ-AOYPEHQESA-N 0 1 406.570 3.573 50 30 HHEAMN C=CCNC(=O)CN1CCC(Cn2c(COc3ccccc3)nc3ccccc32)CC1 ZINC000036708923 518887553 /nfs/dbraw/zinc/88/75/53/518887553.db2.gz PAOSWXPTBLRQLC-UHFFFAOYSA-N 0 1 418.541 3.630 50 30 HHEAMN C=CCOc1ccccc1[C@H]1CC(=O)Nc2c1c(C)nn2-c1ncnc2[nH]cnc21 ZINC000020736216 519074717 /nfs/dbraw/zinc/07/47/17/519074717.db2.gz BSNDMGKGEDCQMQ-CQSZACIVSA-N 0 1 401.430 3.535 50 30 HHEAMN CCOc1ccc(/C=C2\Oc3c(ccc([O-])c3CN3CC[NH+](CC)CC3)C2=O)cc1 ZINC000023078079 520850176 /nfs/dbraw/zinc/85/01/76/520850176.db2.gz IMHWYNPSRPBFAH-JCMHNJIXSA-N 0 1 408.498 3.545 50 30 HHEAMN COc1ccc(/C=N/N=C2\SC(C)C(=O)N2Cc2ccc(F)cc2)c(OC)c1 ZINC000033728124 523441771 /nfs/dbraw/zinc/44/17/71/523441771.db2.gz OXHQWKDAUFNWNW-SSKYUAFRSA-N 0 1 401.463 3.697 50 30 HHEAMN O=c1[nH]c2ccc(/N=C/c3cc(Br)cc(Br)c3O)cc2[nH]1 ZINC000001445301 557266064 /nfs/dbraw/zinc/26/60/64/557266064.db2.gz YMLXBLPLTAZQBK-UBKPWBPPSA-N 0 1 411.053 3.837 50 30 HHEAMN S=C1N=NC(c2[nH]nc3c2CCC3)N1N=CC(Br)=Cc1ccccc1 ZINC000002604566 557359477 /nfs/dbraw/zinc/35/94/77/557359477.db2.gz DPWKNGZKENQCEY-ICTHRGNNSA-N 0 1 415.320 3.716 50 30 HHEAMN COc1ccc(N2C(=O)C(O)=C(C(C)=O)[C@H]2c2ccc(Br)cc2)cc1 ZINC000005062230 557632964 /nfs/dbraw/zinc/63/29/64/557632964.db2.gz GMODKEHPDRIRNK-QGZVFWFLSA-N 0 1 402.244 3.947 50 30 HHEAMN CCOc1cccc(-c2n[nH]c(=S)n2N=Cc2cc(OC)c(OC)cc2OC)c1 ZINC000005408627 557651688 /nfs/dbraw/zinc/65/16/88/557651688.db2.gz BXJKXOPMEIGXCO-CIAFOILYSA-N 0 1 414.487 3.914 50 30 HHEAMN CN(C)c1ccc(/C=N/N=C2/NC(=O)C(Cc3cccc(C(F)(F)F)c3)S2)cc1 ZINC000006142419 557690448 /nfs/dbraw/zinc/69/04/48/557690448.db2.gz HOHXSXNINKFBBK-KZKMUKRCSA-N 0 1 420.460 3.936 50 30 HHEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1ccc(C)cc1 ZINC000006407313 557701598 /nfs/dbraw/zinc/70/15/98/557701598.db2.gz KVNIYTZHGOYWQT-NRFANRHFSA-N 0 1 409.482 3.927 50 30 HHEAMN O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(Cc2ccco2)[C@@H]1c1cccs1 ZINC000006460174 557703600 /nfs/dbraw/zinc/70/36/00/557703600.db2.gz IDQBXJNYKVVBBH-LJQANCHMSA-N 0 1 423.446 3.891 50 30 HHEAMN CCc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000019956502 558314968 /nfs/dbraw/zinc/31/49/68/558314968.db2.gz XFVNOBYECDIVFG-QFIPXVFZSA-N 0 1 422.525 3.706 50 30 HHEAMN CCC1=Nc2ccccc2NC(=NC(=O)CN2CCN(C)CC2)[C@@H]1c1ccccc1 ZINC000020018800 558320797 /nfs/dbraw/zinc/32/07/97/558320797.db2.gz RRPDXQKKCRKRJE-HSZRJFAPSA-N 0 1 403.530 3.551 50 30 HHEAMN CCc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000020101299 558331719 /nfs/dbraw/zinc/33/17/19/558331719.db2.gz KVQNRFWSJNKVBP-QFIPXVFZSA-N 0 1 422.525 3.706 50 30 HHEAMN CCCOc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000020193467 558344745 /nfs/dbraw/zinc/34/47/45/558344745.db2.gz JFPZMPPGPFEDTJ-IBGZPJMESA-N 0 1 414.527 3.677 50 30 HHEAMN O=C(OCc1ccccc1Cl)c1ccc(-c2ccc(CN=Nc3nn[nH]n3)o2)cc1 ZINC000023017531 558530489 /nfs/dbraw/zinc/53/04/89/558530489.db2.gz SMLCCHOLAXIBAR-SSDVNMTOSA-N 0 1 422.832 3.916 50 30 HHEAMN C=CCn1c2ccc(C)cc2cc(CNCc2cc(OC)c(OC)c(OC)c2)c1=O ZINC000299802991 558842870 /nfs/dbraw/zinc/84/28/70/558842870.db2.gz ZRXQKERVWCWLRP-UHFFFAOYSA-N 0 1 408.498 3.812 50 30 HHEAMN CCOc1cccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@H]2c2cccnc2)c1 ZINC000005408600 560583655 /nfs/dbraw/zinc/58/36/55/560583655.db2.gz FZTGHKGYXKNMOX-FQEVSTJZSA-N 0 1 404.422 3.852 50 30 HHEAMN O=C(C1=C(O)C(=O)N(c2ccccn2)[C@H]1c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000102522032 560815910 /nfs/dbraw/zinc/81/59/10/560815910.db2.gz DAUHGSJLVROKBF-WOOAAIBNSA-N 0 1 419.368 3.755 50 30 HHEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2cccc([N+](=O)[O-])c2)no1 ZINC000102692055 560819923 /nfs/dbraw/zinc/81/99/23/560819923.db2.gz JGRVUHXABSTZSO-GHNGSUTGSA-N 0 1 405.366 3.518 50 30 HHEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2cccc(O)c2)no1 ZINC000102691064 560819947 /nfs/dbraw/zinc/81/99/47/560819947.db2.gz YECBFMGCQLHWBJ-GHNGSUTGSA-N 0 1 410.813 3.968 50 30 HHEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(OC(C)C)c(C)c2)[C@@H]1c1cccs1 ZINC000102692907 560819957 /nfs/dbraw/zinc/81/99/57/560819957.db2.gz KGRAESWUOUYUQI-WOOAAIBNSA-N 0 1 415.511 3.912 50 30 HHEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000102705350 560820490 /nfs/dbraw/zinc/82/04/90/560820490.db2.gz UECHIQOSCJGEKX-LFVOPCPISA-N 0 1 408.385 3.757 50 30 HHEAMN COc1ccc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2cc(C)on2)cc1OC ZINC000102800565 560828531 /nfs/dbraw/zinc/82/85/31/560828531.db2.gz PIKCFJVHRQRYPM-WOOAAIBNSA-N 0 1 424.409 3.528 50 30 HHEAMN CCCOc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCN(C)C)c1 ZINC000102873607 560830294 /nfs/dbraw/zinc/83/02/94/560830294.db2.gz KNPPKYBYMYYRGQ-HOGKFDNTSA-N 0 1 422.525 3.767 50 30 HHEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccccc2F)cc1 ZINC000102934629 560835726 /nfs/dbraw/zinc/83/57/26/560835726.db2.gz RNGUDDNYBYBHKN-LFVOPCPISA-N 0 1 408.385 3.757 50 30 HHEAMN COc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nccs2)cc1 ZINC000104181131 560849394 /nfs/dbraw/zinc/84/93/94/560849394.db2.gz WUVSCAHVDFRUSF-GROYHEBESA-N 0 1 410.426 3.917 50 30 HHEAMN C=CCOc1ccc(CN(C)Cc2cc(=O)n3cc(Br)ccc3n2)cc1 ZINC000008037335 568488196 /nfs/dbraw/zinc/48/81/96/568488196.db2.gz XMCCOFZPLLTRDR-UHFFFAOYSA-N 0 1 414.303 3.654 50 30 HHEAMN COc1cccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C(C)C)cc2)c1 ZINC000020231991 568595430 /nfs/dbraw/zinc/59/54/30/568595430.db2.gz NSEJRDXFMVDGJM-QFIPXVFZSA-N 0 1 422.525 3.959 50 30 HHEAMN Cc1cc([O-])c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccccc2)cc1C ZINC000020310046 568598468 /nfs/dbraw/zinc/59/84/68/568598468.db2.gz IAJKNQLNVGTJER-OAQYLSRUSA-N 0 1 408.498 3.539 50 30 HHEAMN CN(C)Cc1ccc(CNC(=O)c2ccc(COc3ccccc3C#N)o2)cc1F ZINC000095447568 568612175 /nfs/dbraw/zinc/61/21/75/568612175.db2.gz MDRGUQBNNCRVOZ-UHFFFAOYSA-N 0 1 407.445 3.861 50 30 HHEAMN C=CCOC1CCN(C[C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)CC1 ZINC000095452704 568615424 /nfs/dbraw/zinc/61/54/24/568615424.db2.gz SQVGWHXRDIJRAB-QHCPKHFHSA-N 0 1 414.571 3.682 50 30 HHEAMN COc1ccccc1-c1n[nH]c(NC(=O)Cc2nn(C(C)C)c(=O)c3ccccc23)n1 ZINC000095472378 568627764 /nfs/dbraw/zinc/62/77/64/568627764.db2.gz RAUSKRIWIIEGOL-UHFFFAOYSA-N 0 1 418.457 3.602 50 30 HHEAMN CCOC(=O)c1sc(N)c(C#N)c1CSc1nc2ccc(OCC)cc2[nH]1 ZINC000002633593 568791589 /nfs/dbraw/zinc/79/15/89/568791589.db2.gz SJBOTKYNYQIHDA-UHFFFAOYSA-N 0 1 402.501 3.946 50 30 HHEAMN N#Cc1ccccc1NC(=O)CSc1nc(-c2ccccc2Br)n[nH]1 ZINC000003380986 568892406 /nfs/dbraw/zinc/89/24/06/568892406.db2.gz FANLQYWWBXGNJO-UHFFFAOYSA-N 0 1 414.288 3.837 50 30 HHEAMN C=CCOC[C@@H](O)CN(Cc1ccccc1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104985057 569009791 /nfs/dbraw/zinc/00/97/91/569009791.db2.gz XJORAEFJNCZJOX-FCHUYYIVSA-N 0 1 414.933 3.899 50 30 HHEAMN Cc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000006160893 569015923 /nfs/dbraw/zinc/01/59/23/569015923.db2.gz GIHLDWYDEMQCEZ-MOBKVPTQSA-N 0 1 422.525 3.766 50 30 HHEAMN C=CCN1C(=O)NC(=O)C(=Cc2cc(Br)c(OCC)c(OCC)c2)C1=O ZINC000017045692 569016944 /nfs/dbraw/zinc/01/69/44/569016944.db2.gz RSGGXPWXUHSQQG-WQLSENKSSA-N 0 1 423.263 3.735 50 30 HHEAMN CSC(=NS(=O)(=O)c1ccccc1)NNc1ncc(C(F)(F)F)cc1Cl ZINC000006181728 569028449 /nfs/dbraw/zinc/02/84/49/569028449.db2.gz ZEZOISMVICSVFF-UHFFFAOYSA-N 0 1 424.857 3.778 50 30 HHEAMN Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCCN(Cc2ccc(C)cc2)CC1 ZINC000040039600 571141917 /nfs/dbraw/zinc/14/19/17/571141917.db2.gz ZMXYTQUAHHWIRZ-UHFFFAOYSA-N 0 1 402.498 3.907 50 30 HHEAMN CC(C)Oc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccccc2)cc1 ZINC000009328657 571248365 /nfs/dbraw/zinc/24/83/65/571248365.db2.gz RNALGIHSQVOLQF-NRFANRHFSA-N 0 1 408.498 3.614 50 30 HHEAMN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccccc2)cc1 ZINC000009328657 571248367 /nfs/dbraw/zinc/24/83/67/571248367.db2.gz RNALGIHSQVOLQF-NRFANRHFSA-N 0 1 408.498 3.614 50 30 HHEAMN C#C[C@@](C)(CC)OC[C@H](O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000022918241 518351900 /nfs/dbraw/zinc/35/19/00/518351900.db2.gz HVLNVTKRPZUDGQ-RSXGOPAZSA-N 0 1 406.570 3.573 50 30 HHEAMN C=CCC[C@@H](O)CN(Cc1nc2sc3c(c2c(=O)[nH]1)CC[C@@H](C)C3)CC(C)C ZINC000036208002 518719279 /nfs/dbraw/zinc/71/92/79/518719279.db2.gz QXBWSIXUXTWQJK-HZPDHXFCSA-N 0 1 403.592 3.895 50 30 HHEAMN CC[NH+]1CCN(Cc2c3c(ccc2[O-])C(=O)/C(=C/c2cn(C)c4ccccc24)O3)CC1 ZINC000032501347 521688169 /nfs/dbraw/zinc/68/81/69/521688169.db2.gz MKKUYWVNQPLTQE-UCQKPKSFSA-N 0 1 417.509 3.638 50 30 HHEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000102800004 523274197 /nfs/dbraw/zinc/27/41/97/523274197.db2.gz XGNYVPGNTCTVRF-LFVOPCPISA-N 0 1 415.873 3.807 50 30 HHEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2cccc(F)c2)cc1 ZINC000017138614 523563408 /nfs/dbraw/zinc/56/34/08/523563408.db2.gz HNUCEVOYYOJETJ-QUCCMNQESA-N 0 1 411.429 3.592 50 30 HHEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccccc2)cc1 ZINC000027017731 523565990 /nfs/dbraw/zinc/56/59/90/523565990.db2.gz DZNAZQYYBNOZDD-NRFANRHFSA-N 0 1 400.434 3.869 50 30 HHEAMN COCC[NH+](CCOC)Cc1c2c(ccc1[O-])C(=O)/C(=C\c1cc3ccccc3o1)O2 ZINC000020650234 523718193 /nfs/dbraw/zinc/71/81/93/523718193.db2.gz MMGGDZRDAJGORA-HYARGMPZSA-N 0 1 423.465 3.849 50 30 HHEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)cc2C)[C@H]1c1cccnc1 ZINC000017112386 523795557 /nfs/dbraw/zinc/79/55/57/523795557.db2.gz QBBGNIPZWCBFAJ-OAQYLSRUSA-N 0 1 424.497 3.650 50 30 HHEAMN O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(Cc2cccnc2)[C@@H]1c1cccnc1 ZINC000005593649 557663797 /nfs/dbraw/zinc/66/37/97/557663797.db2.gz XYRAZJLBAGEEJL-LJQANCHMSA-N 0 1 405.841 3.909 50 30 HHEAMN COc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nnc(C)s2)cc1 ZINC000013569419 558541521 /nfs/dbraw/zinc/54/15/21/558541521.db2.gz KNQNBTKCFOKCID-HNNXBMFYSA-N 0 1 413.480 3.700 50 30 HHEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C)cc2)cc1C ZINC000024081142 558587739 /nfs/dbraw/zinc/58/77/39/558587739.db2.gz PPLUILXNHILXPD-JOCHJYFZSA-N 0 1 422.525 3.842 50 30 HHEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C)cc2)cc1C ZINC000024081142 558587742 /nfs/dbraw/zinc/58/77/42/558587742.db2.gz PPLUILXNHILXPD-JOCHJYFZSA-N 0 1 422.525 3.842 50 30 HHEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CC=C)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000016741347 558803534 /nfs/dbraw/zinc/80/35/34/558803534.db2.gz LPIMLDPNABKDSD-FQEVSTJZSA-N 0 1 420.421 3.924 50 30 HHEAMN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCOC)[C@H]2c2ccncc2)c(C)c1 ZINC000017044825 558812970 /nfs/dbraw/zinc/81/29/70/558812970.db2.gz SUUNMDYJHXWDEJ-NRFANRHFSA-N 0 1 424.497 3.794 50 30 HHEAMN COc1ccc(/C=N/N=C2/SC(C)C(=O)N2Cc2ccc(F)cc2)c(OC)c1 ZINC000013597490 558846624 /nfs/dbraw/zinc/84/66/24/558846624.db2.gz OXHQWKDAUFNWNW-CSNSTFBHSA-N 0 1 401.463 3.697 50 30 HHEAMN CC1CCN(c2nc3ccccc3nc2C(C#N)C(=O)NCCc2ccccc2)CC1 ZINC000004859896 559192755 /nfs/dbraw/zinc/19/27/55/559192755.db2.gz ZTIWLKCOHDOTGH-HXUWFJFHSA-N 0 1 413.525 3.832 50 30 HHEAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)CCNC(C)=O)ccc1C ZINC000005652615 560637057 /nfs/dbraw/zinc/63/70/57/560637057.db2.gz JKTRGUOAHUGOEH-UHFFFAOYSA-N 0 1 405.476 3.759 50 30 HHEAMN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000102495643 560812307 /nfs/dbraw/zinc/81/23/07/560812307.db2.gz PHIQDIDSQGGZKD-HOGKFDNTSA-N 0 1 422.525 3.767 50 30 HHEAMN O=C(c1cccc([N+](=O)[O-])c1)C1C(=O)C(=O)N(Cc2ccco2)[C@@H]1c1ccc(F)cc1 ZINC000102607794 560818883 /nfs/dbraw/zinc/81/88/83/560818883.db2.gz CQRBUDGCVDTGNX-LFVOPCPISA-N 0 1 422.368 3.949 50 30 HHEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cccs2)cc1F ZINC000102748421 560824329 /nfs/dbraw/zinc/82/43/29/560824329.db2.gz VXNSWCWFFOLFOT-WOOAAIBNSA-N 0 1 424.453 3.913 50 30 HHEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccs2)cc1F ZINC000102748423 560824367 /nfs/dbraw/zinc/82/43/67/560824367.db2.gz VXNSWCWFFOLFOT-LFVOPCPISA-N 0 1 424.453 3.913 50 30 HHEAMN COc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2cc(C)on2)c1 ZINC000102805612 560827184 /nfs/dbraw/zinc/82/71/84/560827184.db2.gz UAAPLPXSVDZZKP-LFVOPCPISA-N 0 1 408.385 3.757 50 30 HHEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(N(C)C)cc1 ZINC000102800492 560828481 /nfs/dbraw/zinc/82/84/81/560828481.db2.gz RVJDXSPBZSXHFU-JBCNATCCSA-N 0 1 408.498 3.519 50 30 HHEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc([N+](=O)[O-])cc2)no1 ZINC000102800600 560828501 /nfs/dbraw/zinc/82/85/01/560828501.db2.gz WHWOMRBEXZZHEP-LFVOPCPISA-N 0 1 419.393 3.826 50 30 HHEAMN CCc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)C(=O)C(=O)N2C[C@H]2CCCO2)cc1 ZINC000102859988 560831309 /nfs/dbraw/zinc/83/13/09/560831309.db2.gz JCAVWZDUIZNPEG-RXTQHAMCSA-N 0 1 421.493 3.858 50 30 HHEAMN COC(=O)c1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2Cc2ccco2)cc1 ZINC000102879743 560833659 /nfs/dbraw/zinc/83/36/59/560833659.db2.gz JGJSXCGGDIOBRF-YDJIHCHBSA-N 0 1 417.417 3.688 50 30 HHEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1cccs1 ZINC000102884606 560834049 /nfs/dbraw/zinc/83/40/49/560834049.db2.gz CXGUPVOLECBVML-SELCWUDQSA-N 0 1 401.484 3.603 50 30 HHEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C)cc2)cc1 ZINC000102930920 560835413 /nfs/dbraw/zinc/83/54/13/560835413.db2.gz WHLWNRZGYAFWRF-HOGKFDNTSA-N 0 1 422.525 3.767 50 30 HHEAMN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C)cc2)cc1 ZINC000102930920 560835414 /nfs/dbraw/zinc/83/54/14/560835414.db2.gz WHLWNRZGYAFWRF-HOGKFDNTSA-N 0 1 422.525 3.767 50 30 HHEAMN O=C(C1=C(O)C(=O)N(c2nccs2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000102929766 560835865 /nfs/dbraw/zinc/83/58/65/560835865.db2.gz OUTJLZZGODSGGG-IBOXJLQUSA-N 0 1 407.407 3.678 50 30 HHEAMN COc1ccc([C@@H]2C/C(=N/O)[C@H](C)[C@@H](c3ccc(OC)c(OC)c3)N2)cc1OC ZINC000103540673 560843057 /nfs/dbraw/zinc/84/30/57/560843057.db2.gz AWCKUYBPQYAMFK-KULXNZTLSA-N 0 1 400.475 3.963 50 30 HHEAMN CN(C)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1cccc(F)c1 ZINC000020150212 568590678 /nfs/dbraw/zinc/59/06/78/568590678.db2.gz OPPSDIZZIJYYMK-HXUWFJFHSA-N 0 1 408.429 3.712 50 30 HHEAMN CCCOc1cccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCN(C)C)c1 ZINC000020233966 568595499 /nfs/dbraw/zinc/59/54/99/568595499.db2.gz VLVOBQCJXCXMML-LJQANCHMSA-N 0 1 414.527 3.677 50 30 HHEAMN COc1ccc(CCc2nc(NC(=O)Cc3csc(-n4cccc4)n3)n[nH]2)cc1 ZINC000095478995 568632160 /nfs/dbraw/zinc/63/21/60/568632160.db2.gz XIPXZDJLJQCRBU-UHFFFAOYSA-N 0 1 408.487 3.676 50 30 HHEAMN COc1ccc(CCc2n[nH]c(NC(=O)Cc3csc(-n4cccc4)n3)n2)cc1 ZINC000095478995 568632163 /nfs/dbraw/zinc/63/21/63/568632163.db2.gz XIPXZDJLJQCRBU-UHFFFAOYSA-N 0 1 408.487 3.676 50 30 HHEAMN COc1cccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C(C)C)cc2)c1 ZINC000005799209 568734699 /nfs/dbraw/zinc/73/46/99/568734699.db2.gz XTYPAODAJHKMBR-MOBKVPTQSA-N 0 1 422.525 3.802 50 30 HHEAMN Cc1ccc(C(=O)C2C(=O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000001071150 568765639 /nfs/dbraw/zinc/76/56/39/568765639.db2.gz NGIHSBYFGWEWRI-UYAOXDASSA-N 0 1 422.437 3.661 50 30 HHEAMN COc1cccc(-c2n[nH]c(=S)n2N=Cc2c(OC)cc(OC)cc2OC)c1 ZINC000006007336 568835133 /nfs/dbraw/zinc/83/51/33/568835133.db2.gz PKSUSHSHPNQKQF-RGVLZGJSSA-N 0 1 400.460 3.524 50 30 HHEAMN COC(=O)c1ccc(Cl)cc1N=CC(C#N)S(=O)(=O)c1ccc(Cl)cc1 ZINC000334158048 568862792 /nfs/dbraw/zinc/86/27/92/568862792.db2.gz LIHIHJXHVITXIV-UHFFFAOYSA-N 0 1 411.266 3.995 50 30 HHEAMN COc1cccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccs2)c1 ZINC000004312668 568961072 /nfs/dbraw/zinc/96/10/72/568961072.db2.gz BNWPGURVQQYTIV-LJQANCHMSA-N 0 1 406.463 3.930 50 30 HHEAMN COc1cc(C=Nn2c(=O)c(C)n[nH]c2=S)ccc1OCc1ccc(Cl)cc1 ZINC000008228526 568983326 /nfs/dbraw/zinc/98/33/26/568983326.db2.gz FUJIKFGGSLFKRA-UFFVCSGVSA-N 0 1 416.890 3.733 50 30 HHEAMN COc1ccc(C(=O)[C@H]2CCCN(Cc3ccc(C#CC(C)(C)O)cc3)C2)c(OC)c1 ZINC000011753622 568992305 /nfs/dbraw/zinc/99/23/05/568992305.db2.gz XRRXOHDSMOCZHN-NRFANRHFSA-N 0 1 421.537 3.921 50 30 HHEAMN Cc1c(NN=Cc2ccc(OC(=O)c3ccco3)cc2)c(=O)n(-c2ccccc2)n1C ZINC000252630023 569311508 /nfs/dbraw/zinc/31/15/08/569311508.db2.gz USVGZGUAQFECLP-UHFFFAOYSA-N 0 1 416.437 3.743 50 30 HHEAMN COc1ccc(-c2nc(NCc3ccccc3Cn3cccn3)[nH]c(=O)c2C#N)cc1 ZINC000040130029 571182047 /nfs/dbraw/zinc/18/20/47/571182047.db2.gz GKEVKTFELDBZQH-UHFFFAOYSA-N 0 1 412.453 3.586 50 30 HHEAMN C=CCN1C(=O)N[C@@H](c2cccc(F)c2)C(C(=O)OCC)=C1CN1CCCC[C@H]1C ZINC000245328729 571225517 /nfs/dbraw/zinc/22/55/17/571225517.db2.gz PADIHIXFFWQPTL-IERDGZPVSA-N 0 1 415.509 3.770 50 30 HHEAMN C=CCS(=O)(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(F)cc2Cl)c1 ZINC000032754933 519076419 /nfs/dbraw/zinc/07/64/19/519076419.db2.gz SBLVIPAXCJGVGA-UHFFFAOYSA-N 0 1 403.884 3.548 50 30 HHEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccc([N+](=O)[O-])cc2)no1 ZINC000008915071 525049112 /nfs/dbraw/zinc/04/91/12/525049112.db2.gz QSECRTBLUCSPOD-GOSISDBHSA-N 0 1 423.356 3.813 50 30 HHEAMN C[C@H]1Oc2ccccc2C=C1/C=C1\Oc2c(ccc(O)c2CN2CCOCC2)C1=O ZINC000020612297 525064683 /nfs/dbraw/zinc/06/46/83/525064683.db2.gz HCSDQQCLUORIMG-VUZLNAKASA-N 0 1 405.450 3.548 50 30 biogenic HHEAMN COc1cc(/C=N/N=C2/NC(=O)[C@H](Cc3cccc(Cl)c3Cl)S2)ccc1O ZINC000001150783 557210573 /nfs/dbraw/zinc/21/05/73/557210573.db2.gz RJNGPWUQQSVWQZ-PZEXIZOFSA-N 0 1 424.309 3.872 50 30 HHEAMN CCSc1nc2n(n1)[C@H](c1cc([N+](=O)[O-])ccc1Cl)C1=C(CCCC1=O)N2 ZINC000004777003 557596931 /nfs/dbraw/zinc/59/69/31/557596931.db2.gz JCKQLLZPUITNJE-OAHLLOKOSA-N 0 1 405.867 3.974 50 30 HHEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@@H]1c1cccc(Cl)c1 ZINC000005118806 557637156 /nfs/dbraw/zinc/63/71/56/557637156.db2.gz FIOMNVBKYHPTDU-IBGZPJMESA-N 0 1 415.873 3.963 50 30 HHEAMN 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DZCBEYDODVXOKW-WOOAAIBNSA-N 0 1 414.527 3.520 50 30 HHEAMN S=C1N=NC(c2[nH]nc3c2CCC3)N1N=Cc1cccc(OCc2ccccc2)c1 ZINC000006786221 569121445 /nfs/dbraw/zinc/12/14/45/569121445.db2.gz ADIZHKQKCFEVAA-YDZHTSKRSA-N 0 1 416.510 3.907 50 30 HHEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCOC)[C@H]2c2ccccc2)cc1 ZINC000006308935 569279718 /nfs/dbraw/zinc/27/97/18/569279718.db2.gz PHPFBQOXESKIQL-NRFANRHFSA-N 0 1 407.466 3.866 50 30 HHEAMN Cc1cc(=O)[nH]c(SCC(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)c1C#N ZINC000007738069 569305723 /nfs/dbraw/zinc/30/57/23/569305723.db2.gz KYJSLZLAZQHHMT-UHFFFAOYSA-N 0 1 415.478 3.829 50 30 HHEAMN COc1cc(C=NN2C(=S)N=NC2c2cc(C)n[nH]2)ccc1OCc1ccccc1 ZINC000009291260 571245666 /nfs/dbraw/zinc/24/56/66/571245666.db2.gz FTOBHOLLGSWYSJ-WSDLNYQXSA-N 0 1 420.498 3.735 50 30 HHEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2cccc([N+](=O)[O-])c2)no1 ZINC000009361418 571251600 /nfs/dbraw/zinc/25/16/00/571251600.db2.gz ZKDXKHYBTWDZHO-LJQANCHMSA-N 0 1 419.393 3.983 50 30 HHEAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2ccc(C#N)cc2)ccc1C ZINC000009491572 571262758 /nfs/dbraw/zinc/26/27/58/571262758.db2.gz XGOUXKWXSUQETI-UHFFFAOYSA-N 0 1 421.478 3.928 50 30 HHEAMN CC(=O)C1=C2Nc3ccccc3N2C(=O)[C@H](NC(=O)c2ccccc2)[C@@H]1c1ccccc1 ZINC000009644733 571276123 /nfs/dbraw/zinc/27/61/23/571276123.db2.gz FBDGJYLEOZOVLA-DHIUTWEWSA-N 0 1 423.472 3.842 50 30 HHEAMN C[C@H]1CCCN(c2nc3ccccc3nc2C(C#N)S(=O)(=O)c2cccs2)C1 ZINC000002403735 132254063 /nfs/dbraw/zinc/25/40/63/132254063.db2.gz JMNZQKQCZMXZDL-WMLDXEAASA-N 0 1 412.540 3.966 50 30 HHEAMN C=CCN1C(=O)N[C@@H](c2cccc(F)c2)C(C(=O)OCC)=C1CN1CCCC[C@@H]1C ZINC000035991777 518838908 /nfs/dbraw/zinc/83/89/08/518838908.db2.gz PADIHIXFFWQPTL-KKSFZXQISA-N 0 1 415.509 3.770 50 30 HHEAMN C=CCN1C(=O)N[C@H](c2ccc(C)cc2)C(C(=O)OCC)=C1CN1CCC(C)CC1 ZINC000035991796 518840684 /nfs/dbraw/zinc/84/06/84/518840684.db2.gz IVKMOBNDTMHWLJ-JOCHJYFZSA-N 0 1 411.546 3.796 50 30 HHEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2cccnc2)cc1F ZINC000026459137 523565791 /nfs/dbraw/zinc/56/57/91/523565791.db2.gz VMWSQIWTLANVEN-LJQANCHMSA-N 0 1 408.385 3.601 50 30 HHEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(O)cc2)cc1F ZINC000026458966 523565814 /nfs/dbraw/zinc/56/58/14/523565814.db2.gz ZRRGQUFVBKCFIQ-FQEVSTJZSA-N 0 1 423.396 3.911 50 30 HHEAMN Cc1cc(O)c(CN2CCN(C)CC2)c2c1C(=O)/C(=C/c1cc3ccccc3o1)O2 ZINC000020663668 525315369 /nfs/dbraw/zinc/31/53/69/525315369.db2.gz UOBAQOXVGSMTCB-BKUYFWCQSA-N 0 1 404.466 3.810 50 30 HHEAMN C[C@@H]1Oc2ccccc2C=C1/C=C1\Oc2c(ccc(O)c2CN2CCOCC2)C1=O ZINC000020612295 525612498 /nfs/dbraw/zinc/61/24/98/525612498.db2.gz HCSDQQCLUORIMG-PXNCGERRSA-N 0 1 405.450 3.548 50 30 biogenic HHEAMN COc1ccc(OC)c(C=Nn2c(=S)[nH]nc2-c2ccc(OC)c(OC)c2)c1 ZINC000001475973 557269761 /nfs/dbraw/zinc/26/97/61/557269761.db2.gz YQPZSNXAMNZKKT-RGVLZGJSSA-N 0 1 400.460 3.524 50 30 HHEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@H]1c1cccc(OC)c1 ZINC000005118801 557637212 /nfs/dbraw/zinc/63/72/12/557637212.db2.gz LWBHEPVXMYBLDR-LJQANCHMSA-N 0 1 415.873 3.963 50 30 HHEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2cccc([N+](=O)[O-])c2)no1 ZINC000009185669 557825414 /nfs/dbraw/zinc/82/54/14/557825414.db2.gz AAAGQEBLGOJLPU-MRXNPFEDSA-N 0 1 411.395 3.736 50 30 HHEAMN CCCOc1cccc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCN(C)C)c1 ZINC000019999657 558317899 /nfs/dbraw/zinc/31/78/99/558317899.db2.gz XREPAUXCJSHLPN-HXUWFJFHSA-N 0 1 412.486 3.517 50 30 HHEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1ccc(F)cc1 ZINC000018010492 558829508 /nfs/dbraw/zinc/82/95/08/558829508.db2.gz BDWJQMMVAFVPLI-HXUWFJFHSA-N 0 1 413.445 3.758 50 30 HHEAMN COc1ccccc1/C=N/N=C1/NC(=O)C(Cc2ccc(Br)cc2)S1 ZINC000018209048 558833597 /nfs/dbraw/zinc/83/35/97/558833597.db2.gz GPARCQKSMNKFBX-MBTVCVBTSA-N 0 1 418.316 3.622 50 30 HHEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccccn2)cc1 ZINC000013570410 558844459 /nfs/dbraw/zinc/84/44/59/558844459.db2.gz MHWUCRZQIKZQSQ-OAQYLSRUSA-N 0 1 415.449 3.654 50 30 HHEAMN O=C(C1=C(O)C(=O)N(CCc2c[nH]cn2)[C@H]1c1cccc(F)c1)c1ccc(F)cc1 ZINC000004626068 558890161 /nfs/dbraw/zinc/89/01/61/558890161.db2.gz LFMHAUMOLPNFIH-IBGZPJMESA-N 0 1 409.392 3.509 50 30 HHEAMN COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(C#N)cc2)cc1 ZINC000014095418 559150716 /nfs/dbraw/zinc/15/07/16/559150716.db2.gz KRZRAFNJQBCHOD-UHFFFAOYSA-N 0 1 407.451 3.620 50 30 HHEAMN CCc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000005576354 560624499 /nfs/dbraw/zinc/62/44/99/560624499.db2.gz CYJQNNARXSIVKS-MOBKVPTQSA-N 0 1 422.525 3.549 50 30 HHEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(C(C)C)cc1 ZINC000102509979 560814843 /nfs/dbraw/zinc/81/48/43/560814843.db2.gz LQDWTLQZIYSWME-JBCNATCCSA-N 0 1 409.482 3.887 50 30 HHEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2C)[C@H]1c1ccc(C)cc1 ZINC000102516999 560815499 /nfs/dbraw/zinc/81/54/99/560815499.db2.gz QVPNGZADSVRMSU-JBCNATCCSA-N 0 1 409.482 3.770 50 30 HHEAMN O=C(c1ccc(F)cc1)C1C(=O)C(=O)N(Cc2cccnc2)[C@H]1c1ccccc1F ZINC000102645463 560819834 /nfs/dbraw/zinc/81/98/34/560819834.db2.gz AONLDBRDFDGJTO-NHFXJNLRSA-N 0 1 406.388 3.982 50 30 HHEAMN COc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(F)cc2)c1 ZINC000102718409 560823436 /nfs/dbraw/zinc/82/34/36/560823436.db2.gz XMIBPMHSCLFJSC-LFVOPCPISA-N 0 1 408.385 3.757 50 30 HHEAMN COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccccn2)[C@@H]1c1ccc(F)cc1 ZINC000102737352 560824524 /nfs/dbraw/zinc/82/45/24/560824524.db2.gz HRNJKRPPRSWZOI-YDJIHCHBSA-N 0 1 422.387 3.995 50 30 HHEAMN O=C(c1ccc(F)cc1)C1C(=O)C(=O)N(CCCn2ccnc2)[C@@H]1c1ccc(F)cc1 ZINC000102874010 560830290 /nfs/dbraw/zinc/83/02/90/560830290.db2.gz YBJHWQSHNYAAFC-YDJIHCHBSA-N 0 1 423.419 3.673 50 30 HHEAMN O=C(c1ccccc1)C1C(=O)C(=O)N(CCCn2ccnc2)[C@H]1c1ccc(F)cc1 ZINC000102859370 560831270 /nfs/dbraw/zinc/83/12/70/560831270.db2.gz WZHIJKGQYGXRHB-NHFXJNLRSA-N 0 1 405.429 3.534 50 30 HHEAMN CCc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)C(=O)C(=O)N2C[C@H]2CCCO2)cc1 ZINC000102859987 560831285 /nfs/dbraw/zinc/83/12/85/560831285.db2.gz JCAVWZDUIZNPEG-LQQVSHDKSA-N 0 1 421.493 3.858 50 30 HHEAMN Cc1cccc(N2C(=O)C(=CNc3sc4c(c3C#N)CCCC4)C(=O)NC2=S)c1 ZINC000103748736 560844196 /nfs/dbraw/zinc/84/41/96/560844196.db2.gz DSUYQRUODJGKTM-WJDWOHSUSA-N 0 1 422.535 3.551 50 30 HHEAMN COc1ccccc1[C@@H]1C(C(=O)c2ccccc2)C(=O)C(=O)N1Cc1cccnc1 ZINC000103919378 560845073 /nfs/dbraw/zinc/84/50/73/560845073.db2.gz CIBHTQYWVMAKLS-JBCNATCCSA-N 0 1 400.434 3.712 50 30 HHEAMN Cc1ccc2nc(CN3CC(=O)C(c4nc(-c5ccccc5)cs4)=C3N)[nH]c2c1 ZINC000218511531 568481281 /nfs/dbraw/zinc/48/12/81/568481281.db2.gz JZPFCYROACWTBX-UHFFFAOYSA-N 0 1 401.495 3.707 50 30 HHEAMN Cc1ccc2nc(CN3C=C(O)C(c4nc(-c5ccccc5)cs4)C3=N)[nH]c2c1 ZINC000218511531 568481282 /nfs/dbraw/zinc/48/12/82/568481282.db2.gz JZPFCYROACWTBX-UHFFFAOYSA-N 0 1 401.495 3.707 50 30 HHEAMN CCOc1cccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nnc(C)s2)c1 ZINC000000801613 568484737 /nfs/dbraw/zinc/48/47/37/568484737.db2.gz YDUIFTUMKNYGDZ-INIZCTEOSA-N 0 1 411.439 3.621 50 30 HHEAMN C=CCNC(=O)c1ccc(Cn2c(=O)c3[nH]c4ccc(OC)cc4c3[nH]c2=S)cc1 ZINC000020331194 568599288 /nfs/dbraw/zinc/59/92/88/568599288.db2.gz POALTRXONYCCCZ-UHFFFAOYSA-N 0 1 420.494 3.513 50 30 HHEAMN COc1ccc(CCc2nc(NC(=O)Cn3ccc4ccccc43)n[nH]2)cc1OC ZINC000095476757 568630659 /nfs/dbraw/zinc/63/06/59/568630659.db2.gz KAPWIVNPVQDOHF-UHFFFAOYSA-N 0 1 405.458 3.850 50 30 HHEAMN COc1ccc(CCc2n[nH]c(NC(=O)Cn3ccc4ccccc43)n2)cc1OC ZINC000095476757 568630662 /nfs/dbraw/zinc/63/06/62/568630662.db2.gz KAPWIVNPVQDOHF-UHFFFAOYSA-N 0 1 405.458 3.850 50 30 HHEAMN C=CCn1cc(/C=C2/C(=O)NC(=S)N(c3cccc(F)c3)C2=O)c2ccccc21 ZINC000004711403 568963999 /nfs/dbraw/zinc/96/39/99/568963999.db2.gz CNIYJALLARJXMF-WQRHYEAKSA-N 0 1 405.454 3.798 50 30 HHEAMN COc1cc(OC)cc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nccs2)c1 ZINC000008216955 568983100 /nfs/dbraw/zinc/98/31/00/568983100.db2.gz TWLXSIQTFQSWNC-MRXNPFEDSA-N 0 1 412.423 3.536 50 30 HHEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000006621941 569074975 /nfs/dbraw/zinc/07/49/75/569074975.db2.gz HXWQOJXSSGTXIK-LJQANCHMSA-N 0 1 408.385 3.914 50 30 HHEAMN CCCOc1cccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCN(C)C)c1 ZINC000006783490 569120785 /nfs/dbraw/zinc/12/07/85/569120785.db2.gz DZCBEYDODVXOKW-LFVOPCPISA-N 0 1 414.527 3.520 50 30 HHEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2cccc(F)c2)cc1 ZINC000017138612 569275492 /nfs/dbraw/zinc/27/54/92/569275492.db2.gz HNUCEVOYYOJETJ-UYAOXDASSA-N 0 1 411.429 3.592 50 30 HHEAMN O=C1CC(c2ccccc2)CC(=O)C1=CNc1ncnc2c1ncn2Cc1ccccc1 ZINC000002132574 569287347 /nfs/dbraw/zinc/28/73/47/569287347.db2.gz WYSAHNIXWMMMIF-UHFFFAOYSA-N 0 1 423.476 3.886 50 30 biogenic HHEAMN O=C1CC(c2ccccc2)CC(=O)C1=CN=c1nc[nH]c2c1ncn2Cc1ccccc1 ZINC000002132574 569287349 /nfs/dbraw/zinc/28/73/49/569287349.db2.gz WYSAHNIXWMMMIF-UHFFFAOYSA-N 0 1 423.476 3.886 50 30 biogenic HHEAMN N#CC(C(=O)NCCc1ccccc1)c1nc2ccccc2nc1N1CCCCCC1 ZINC000002313112 569373972 /nfs/dbraw/zinc/37/39/72/569373972.db2.gz ACBKTIQMPATCTA-FQEVSTJZSA-N 0 1 413.525 3.976 50 30 HHEAMN O=C1c2ccc(O)c(CN3CCOCC3)c2O/C1=C\c1ccccc1Br ZINC000002347800 569379418 /nfs/dbraw/zinc/37/94/18/569379418.db2.gz LEFWHLUBQPXPFA-WQRHYEAKSA-N 0 1 416.271 3.603 50 30 HHEAMN Cc1ccc(C)c(NC(=S)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c1 ZINC000008686952 571101594 /nfs/dbraw/zinc/10/15/94/571101594.db2.gz SNIGIFLMPLXLNY-UHFFFAOYSA-N 0 1 413.528 3.924 50 30 HHEAMN CCOc1ccc([C@@H]2C(C(=O)c3cccs3)C(=O)C(=O)N2C[C@@H]2CCCO2)cc1 ZINC000009184910 571234748 /nfs/dbraw/zinc/23/47/48/571234748.db2.gz TVISKPKKYLKPAZ-QFBILLFUSA-N 0 1 413.495 3.904 50 30 HHEAMN COc1cc(C(=O)OCC(=O)[C@@H](C#N)c2nc(C)cs2)cc(Cl)c1OC(C)C ZINC000009244731 571241198 /nfs/dbraw/zinc/24/11/98/571241198.db2.gz PKLSPGCQGJZGAJ-CYBMUJFWSA-N 0 1 422.890 3.934 50 30 HHEAMN COc1cc(C(=O)OCC(=O)C(C#N)c2nc(C)cs2)cc(Cl)c1OC(C)C ZINC000009244731 571241199 /nfs/dbraw/zinc/24/11/99/571241199.db2.gz PKLSPGCQGJZGAJ-CYBMUJFWSA-N 0 1 422.890 3.934 50 30 HHEAMN C=CCN1C(=O)NC(=O)/C(=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)C1=O ZINC000009296732 571246017 /nfs/dbraw/zinc/24/60/17/571246017.db2.gz WSGRRQLKEMWKRS-UNOMPAQXSA-N 0 1 419.868 3.991 50 30 biogenic HHEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2cccnc2)cc1 ZINC000009437097 571258836 /nfs/dbraw/zinc/25/88/36/571258836.db2.gz FGENANLTPYLUOV-HXUWFJFHSA-N 0 1 419.437 3.950 50 30 HHEAMN C=CCSc1nnc([C@H]2CCCN(Cc3ccc(OC)c(OCC)c3)C2)n1C ZINC000014982768 962617622 /nfs/dbraw/zinc/61/76/22/962617622.db2.gz XYZOEAPEJWYBBG-KRWDZBQOSA-N 0 1 402.564 3.880 50 30 HHEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2cccc(O)c2)cc1F ZINC000026459001 523566725 /nfs/dbraw/zinc/56/67/25/523566725.db2.gz YPEIXUCWELMPGI-HXUWFJFHSA-N 0 1 423.396 3.911 50 30 HHEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(C(C)C)s3)[C@H]2c2cccnc2)o1 ZINC000000799378 557083959 /nfs/dbraw/zinc/08/39/59/557083959.db2.gz GUZBBMJMFZROAN-HNNXBMFYSA-N 0 1 410.455 3.741 50 30 HHEAMN O=C(Nc1[n-]n(-c2ccccc2)c(=O)c1C1=[NH+]CCCCC1)c1ccccc1Cl ZINC000004815028 557601264 /nfs/dbraw/zinc/60/12/64/557601264.db2.gz JPSHNPFILCLBFZ-HNENSFHCSA-N 0 1 408.889 3.848 50 30 HHEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@H]2c2cccc(Cl)c2)cc1 ZINC000005118797 557637186 /nfs/dbraw/zinc/63/71/86/557637186.db2.gz RLNDBDMYFKDUIM-IBGZPJMESA-N 0 1 415.873 3.963 50 30 HHEAMN CCOc1ccc(C=Nn2c(=S)[nH]nc2-c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000005959245 557682713 /nfs/dbraw/zinc/68/27/13/557682713.db2.gz VJMFBEIBOCTEGU-CIAFOILYSA-N 0 1 414.487 3.914 50 30 HHEAMN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2cccc([N+](=O)[O-])c2)s1 ZINC000009464524 557843611 /nfs/dbraw/zinc/84/36/11/557843611.db2.gz XYMJBDPFSKGTCC-INIZCTEOSA-N 0 1 422.422 3.538 50 30 HHEAMN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCO)[C@@H]2c2ccc(F)cc2)cc1 ZINC000016737202 558802774 /nfs/dbraw/zinc/80/27/74/558802774.db2.gz WQNNKTSXNRYAKO-HXUWFJFHSA-N 0 1 413.445 3.575 50 30 HHEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCO)[C@H]2c2ccc(C)cc2)cc1 ZINC000016741402 558803495 /nfs/dbraw/zinc/80/34/95/558803495.db2.gz ZEYDSWRFCNKLGU-NRFANRHFSA-N 0 1 407.466 3.521 50 30 HHEAMN COc1cccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccccc2)c1 ZINC000096101687 559095452 /nfs/dbraw/zinc/09/54/52/559095452.db2.gz MDTGXLCIOSBXKS-NRFANRHFSA-N 0 1 417.465 3.560 50 30 HHEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C)cc2)cc1 ZINC000101287335 560790741 /nfs/dbraw/zinc/79/07/41/560790741.db2.gz FEQQIALMRFICIT-HOGKFDNTSA-N 0 1 420.509 3.543 50 30 HHEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C)cc2)cc1 ZINC000101287335 560790742 /nfs/dbraw/zinc/79/07/42/560790742.db2.gz FEQQIALMRFICIT-HOGKFDNTSA-N 0 1 420.509 3.543 50 30 HHEAMN COc1ccc([C@@H]2N[C@H](c3ccc(OC)c(OC)c3)C/C(=N/O)[C@@H]2C)cc1OC ZINC000101390065 560794156 /nfs/dbraw/zinc/79/41/56/560794156.db2.gz AWCKUYBPQYAMFK-SEKUFUNASA-N 0 1 400.475 3.963 50 30 HHEAMN O=C(c1ccc(F)cc1)C1C(=O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccccc1F ZINC000102645460 560819755 /nfs/dbraw/zinc/81/97/55/560819755.db2.gz AONLDBRDFDGJTO-YDJIHCHBSA-N 0 1 406.388 3.982 50 30 HHEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccc([N+](=O)[O-])cc2)no1 ZINC000102723799 560821604 /nfs/dbraw/zinc/82/16/04/560821604.db2.gz KJXVAKWHONWXQG-UYTDBDHRSA-N 0 1 411.395 3.579 50 30 HHEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2cc(C)on2)cc1 ZINC000102805563 560827136 /nfs/dbraw/zinc/82/71/36/560827136.db2.gz FTJGKWCWZLEXIR-LFVOPCPISA-N 0 1 408.410 3.909 50 30 HHEAMN Cc1ccc([C@@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCCn2ccnc2)cc1 ZINC000102863044 560832331 /nfs/dbraw/zinc/83/23/31/560832331.db2.gz MWMWNDJSUZAYMO-JBCNATCCSA-N 0 1 401.466 3.704 50 30 HHEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(O)cc1 ZINC000102880106 560833769 /nfs/dbraw/zinc/83/37/69/560833769.db2.gz ZPOQONFBLSKBRG-GHNGSUTGSA-N 0 1 401.846 3.504 50 30 HHEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2cc(C)on2)cc1OC ZINC000102886025 560834081 /nfs/dbraw/zinc/83/40/81/560834081.db2.gz JYVHDBNAXAAZIG-LFVOPCPISA-N 0 1 424.409 3.610 50 30 HHEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2cc(C)on2)cc1OC ZINC000102886025 560834082 /nfs/dbraw/zinc/83/40/82/560834082.db2.gz JYVHDBNAXAAZIG-LFVOPCPISA-N 0 1 424.409 3.610 50 30 HHEAMN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCOC)[C@@H]2c2cccnc2)cc1C ZINC000102929469 560834936 /nfs/dbraw/zinc/83/49/36/560834936.db2.gz QVXVGKTVMOSVBP-JBCNATCCSA-N 0 1 424.497 3.637 50 30 HHEAMN CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000104227511 560849906 /nfs/dbraw/zinc/84/99/06/560849906.db2.gz OTOCLBHSHOJRLH-UYTDBDHRSA-N 0 1 409.269 3.570 50 30 HHEAMN O=C(c1ccccn1)N1CCC2(CC1)Nc1cccnc1N=C2NCc1ccccc1 ZINC000096309699 568673921 /nfs/dbraw/zinc/67/39/21/568673921.db2.gz XDOGIZPSTJVLLV-UHFFFAOYSA-N 0 1 412.497 3.588 50 30 HHEAMN COc1cccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C(C)C)cc2)c1 ZINC000005799199 568734744 /nfs/dbraw/zinc/73/47/44/568734744.db2.gz XTYPAODAJHKMBR-HOGKFDNTSA-N 0 1 422.525 3.802 50 30 HHEAMN CC(C)(C)NC(=S)N/N=C/c1cc(Br)cc(Br)c1O ZINC000002564998 568783998 /nfs/dbraw/zinc/78/39/98/568783998.db2.gz SNUQRBQSCHTUKF-GIDUJCDVSA-N 0 1 409.147 3.514 50 30 HHEAMN COc1ccc(C(=O)[C@@H]2CCCN(Cc3ccc(C#CC(C)(C)O)cc3)C2)c(OC)c1 ZINC000011753621 568992247 /nfs/dbraw/zinc/99/22/47/568992247.db2.gz XRRXOHDSMOCZHN-OAQYLSRUSA-N 0 1 421.537 3.921 50 30 HHEAMN N#Cc1ccccc1-n1nnnc1C1(NCc2ccccc2)C2CC3CC(C2)CC1C3 ZINC000035170823 569001682 /nfs/dbraw/zinc/00/16/82/569001682.db2.gz DXSYTJQYZUWKDA-UHFFFAOYSA-N 0 1 410.525 3.975 50 30 HHEAMN C[C@@H]1CCCN(c2nc3ccccc3nc2C(C#N)S(=O)(=O)c2ccccc2)C1 ZINC000245257202 569055620 /nfs/dbraw/zinc/05/56/20/569055620.db2.gz WWWHUAIJESDEEB-UZLBHIALSA-N 0 1 406.511 3.905 50 30 HHEAMN O=C(C1=C(O)C(=O)N(c2ncccn2)[C@H]1c1ccc(O)cc1)c1ccc(Cl)cc1 ZINC000006651588 569082433 /nfs/dbraw/zinc/08/24/33/569082433.db2.gz ALYTTZOEAQGNFM-KRWDZBQOSA-N 0 1 407.813 3.619 50 30 HHEAMN COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2cccc(C#N)c2)cc1 ZINC000006800791 569128756 /nfs/dbraw/zinc/12/87/56/569128756.db2.gz IBBGFSAMCNKIPO-UHFFFAOYSA-N 0 1 407.451 3.620 50 30 HHEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@H]2c2ccc(C)cc2)cc1 ZINC000006309395 569279733 /nfs/dbraw/zinc/27/97/33/569279733.db2.gz MHOLXPPOHCJTHN-NRFANRHFSA-N 0 1 407.466 3.785 50 30 HHEAMN CCC1S/C(=N\N=C\c2cccc([N+](=O)[O-])c2)N(Cc2ccc(OC)cc2)C1=O ZINC000002233909 569320396 /nfs/dbraw/zinc/32/03/96/569320396.db2.gz WCGZWKXCFBSISZ-VFYZMQMWSA-N 0 1 412.471 3.848 50 30 HHEAMN O=C1c2ccc(O)c(CN3CCOCC3)c2O/C1=C\c1cccc(Br)c1 ZINC000002432175 569399268 /nfs/dbraw/zinc/39/92/68/569399268.db2.gz IHAFDMKKRKZHEI-WQRHYEAKSA-N 0 1 416.271 3.603 50 30 HHEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccs2)cc1 ZINC000013208365 569410295 /nfs/dbraw/zinc/41/02/95/569410295.db2.gz LFMKVOHZPPHUAC-LJQANCHMSA-N 0 1 414.527 3.677 50 30 HHEAMN COc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2cc(C)on2)cc1 ZINC000008743707 571110898 /nfs/dbraw/zinc/11/08/98/571110898.db2.gz KXOZAMDAQLQRIB-LJQANCHMSA-N 0 1 408.385 3.914 50 30 HHEAMN O=C(c1cccc([N+](=O)[O-])c1)C1C(=O)C(=O)N(Cc2ccco2)[C@@H]1c1ccccc1 ZINC000009089252 571220379 /nfs/dbraw/zinc/22/03/79/571220379.db2.gz OEYASSQXCDSFCD-LJQANCHMSA-N 0 1 404.378 3.966 50 30 HHEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2cccc([N+](=O)[O-])c2)no1 ZINC000009437101 571258849 /nfs/dbraw/zinc/25/88/49/571258849.db2.gz ZKDXKHYBTWDZHO-IBGZPJMESA-N 0 1 419.393 3.983 50 30 HHEAMN C=CCN(Cc1nc(-c2ccccc2)no1)C(=O)c1cc(-c2ccccc2O)[nH]n1 ZINC000055132053 518799022 /nfs/dbraw/zinc/79/90/22/518799022.db2.gz SKPIDDPUDLIVDC-UHFFFAOYSA-N 0 1 401.426 3.661 50 30 HHEAMN C=CCOC[C@@H](O)CN(Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036147182 518989815 /nfs/dbraw/zinc/98/98/15/518989815.db2.gz JRECSVGSSQHFRA-VXKWHMMOSA-N 0 1 414.933 3.899 50 30 HHEAMN COc1cc([C@@H]2c3cc4c(cc3NC3=C2C(=O)CCC3)OCO4)cc([N+](=O)[O-])c1O ZINC000018196863 522937710 /nfs/dbraw/zinc/93/77/10/522937710.db2.gz KFMJGHJYGBIGOI-LJQANCHMSA-N 0 1 410.382 3.602 50 30 HHEAMN C[C@H]1CCCN(c2nc3ccccc3nc2C(C#N)S(=O)(=O)c2ccccc2)C1 ZINC000036384008 524107397 /nfs/dbraw/zinc/10/73/97/524107397.db2.gz WWWHUAIJESDEEB-JXFKEZNVSA-N 0 1 406.511 3.905 50 30 HHEAMN COc1cccc([C@H]2C(C(=O)C=Cc3ccco3)C(=O)C(=O)N2Cc2cccnc2)c1 ZINC000033542155 524168392 /nfs/dbraw/zinc/16/83/92/524168392.db2.gz RXQDKAMSLMUGBJ-DYYZXQNHSA-N 0 1 416.433 3.861 50 30 HHEAMN COc1ccc(C=Nn2c(=S)[nH]nc2-c2ccc(OC)c(OC)c2)cc1OC ZINC000001476000 557269727 /nfs/dbraw/zinc/26/97/27/557269727.db2.gz MLVQXBIXZORCRJ-RGVLZGJSSA-N 0 1 400.460 3.524 50 30 HHEAMN [NH2+]=C(Nc1ccccc1)Nc1nc(CSc2nc3ccccc3s2)cc(=O)[n-]1 ZINC000002213346 557327301 /nfs/dbraw/zinc/32/73/01/557327301.db2.gz ZSZFVJHRWWKQFQ-UHFFFAOYSA-N 0 1 408.512 3.730 50 30 HHEAMN CCOc1cccc(C=Nn2c(=S)[nH]nc2-c2ccc(OC)c(OC)c2)c1O ZINC000004311821 557539312 /nfs/dbraw/zinc/53/93/12/557539312.db2.gz ROHICPUNISYACS-RGVLZGJSSA-N 0 1 400.460 3.611 50 30 HHEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@H]1c1cccc(Cl)c1 ZINC000005118805 557637218 /nfs/dbraw/zinc/63/72/18/557637218.db2.gz FIOMNVBKYHPTDU-LJQANCHMSA-N 0 1 415.873 3.963 50 30 HHEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccncc2)cc1C ZINC000006812908 557724391 /nfs/dbraw/zinc/72/43/91/557724391.db2.gz NSPLCTRQANGMLU-OAQYLSRUSA-N 0 1 415.449 3.572 50 30 HHEAMN CC[NH+]1CCN(Cc2c3c(ccc2[O-])C(=O)/C(=C/C=C/c2ccccc2OC)O3)CC1 ZINC000022930716 558397270 /nfs/dbraw/zinc/39/72/70/558397270.db2.gz ALUXUFNOYQUZDH-JMESJSMXSA-N 0 1 420.509 3.711 50 30 HHEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2cccnc2)cc1 ZINC000013162820 558524499 /nfs/dbraw/zinc/52/44/99/558524499.db2.gz FDULJJSNBPJMRU-IBGZPJMESA-N 0 1 405.410 3.560 50 30 HHEAMN COc1ccc([C@H]2C(C(=O)c3cccs3)C(=O)C(=O)N2Cc2cccnc2)cc1 ZINC000013552834 558539569 /nfs/dbraw/zinc/53/95/69/558539569.db2.gz UFPBCKXLJNXGBZ-IBGZPJMESA-N 0 1 406.463 3.930 50 30 HHEAMN C#CCN1CCC(C(=O)Nc2scc(-c3cccs3)c2C(=O)OCC)CC1 ZINC000072277298 558703225 /nfs/dbraw/zinc/70/32/25/558703225.db2.gz YYNNOJGRMRNLOV-UHFFFAOYSA-N 0 1 402.541 3.937 50 30 HHEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCO)[C@@H]2c2ccc(C)cc2)cc1 ZINC000016741403 558803513 /nfs/dbraw/zinc/80/35/13/558803513.db2.gz ZEYDSWRFCNKLGU-OAQYLSRUSA-N 0 1 407.466 3.521 50 30 HHEAMN O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(O)cc1)c1ccc(F)cc1 ZINC000018114479 558831348 /nfs/dbraw/zinc/83/13/48/558831348.db2.gz QZVUYFKSADELKS-FQEVSTJZSA-N 0 1 404.397 3.705 50 30 HHEAMN O=C(C1=C(O)C(=O)N(CCc2c[nH]cn2)[C@@H]1c1ccc(F)cc1)c1ccc(F)cc1 ZINC000004626064 558890181 /nfs/dbraw/zinc/89/01/81/558890181.db2.gz SZHMYDSQOYABIE-LJQANCHMSA-N 0 1 409.392 3.509 50 30 HHEAMN O=C(c1ccc(F)cc1)C1C(=O)C(=O)N(CCc2cnc[nH]2)[C@@H]1c1ccc(F)cc1 ZINC000004626064 558890184 /nfs/dbraw/zinc/89/01/84/558890184.db2.gz SZHMYDSQOYABIE-LJQANCHMSA-N 0 1 409.392 3.509 50 30 HHEAMN C=CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(C3CCCCC3)C2=O)cc1OC ZINC000004783814 559062881 /nfs/dbraw/zinc/06/28/81/559062881.db2.gz YXPALBTWUJOJOB-XNTDXEJSSA-N 0 1 418.877 3.708 50 30 HHEAMN Cc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2cccc(F)c2)cc1 ZINC000095393464 559080902 /nfs/dbraw/zinc/08/09/02/559080902.db2.gz GWLJASJUFGWQJJ-NRFANRHFSA-N 0 1 419.456 3.999 50 30 HHEAMN O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1cccc(O)c1)c1ccc(Cl)cc1 ZINC000005491169 560597425 /nfs/dbraw/zinc/59/74/25/560597425.db2.gz UMMMGUOOPQRKTC-IEBWSBKVSA-N 0 1 413.857 3.803 50 30 HHEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(OC(C)C)cc2)o1 ZINC000018115874 560776151 /nfs/dbraw/zinc/77/61/51/560776151.db2.gz BSCLKRALXPBAIA-HXUWFJFHSA-N 0 1 412.486 3.515 50 30 HHEAMN Cc1n[nH]c(C)c1C(=O)C1C(=O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(Cl)cc1 ZINC000102745771 560824065 /nfs/dbraw/zinc/82/40/65/560824065.db2.gz XSJOBAUKOUNIAK-WOOAAIBNSA-N 0 1 422.872 3.697 50 30 HHEAMN Cc1n[nH]c(C)c1C(=O)C1C(=O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(Cl)cc1 ZINC000102745775 560824103 /nfs/dbraw/zinc/82/41/03/560824103.db2.gz XSJOBAUKOUNIAK-LFVOPCPISA-N 0 1 422.872 3.697 50 30 HHEAMN COc1ccc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2cc(C)on2)cc1OC ZINC000102800567 560828536 /nfs/dbraw/zinc/82/85/36/560828536.db2.gz PIKCFJVHRQRYPM-LFVOPCPISA-N 0 1 424.409 3.528 50 30 HHEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccs2)cc1Cl ZINC000020233945 568595471 /nfs/dbraw/zinc/59/54/71/568595471.db2.gz BGZHNOSXFNRKRP-KRWDZBQOSA-N 0 1 420.918 3.550 50 30 HHEAMN CCOC(=O)c1csc(C(C#N)C(=O)Nc2ccc(C)c(Br)c2)n1 ZINC000095453857 568615993 /nfs/dbraw/zinc/61/59/93/568615993.db2.gz LQYPOXMRXSUZDZ-NSHDSACASA-N 0 1 408.277 3.637 50 30 HHEAMN N#Cc1cccc(CN2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)c1F ZINC000095454782 568616363 /nfs/dbraw/zinc/61/63/63/568616363.db2.gz HJEXMOLOVNGSSC-HNNXBMFYSA-N 0 1 417.282 3.706 50 30 HHEAMN Cc1oc(NC(=O)[C@H](C)N2CCC[C@H](c3ncc(C(F)(F)F)[nH]3)C2)c(C#N)c1C ZINC000225537427 568772395 /nfs/dbraw/zinc/77/23/95/568772395.db2.gz LOQASHDHXMJCEC-AAEUAGOBSA-N 0 1 409.412 3.717 50 30 HHEAMN C=CCOC(=O)C1C(C)=NC(=O)N[C@H]1c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000004008727 568933163 /nfs/dbraw/zinc/93/31/63/568933163.db2.gz WYPURTSDVYYXOB-QFIPXVFZSA-N 0 1 414.465 3.896 50 30 HHEAMN C=CCN1C(=O)NC(=O)/C(=C/c2ccc(OCc3cccc(C)c3)c(OCC)c2)C1=O ZINC000015011758 569004119 /nfs/dbraw/zinc/00/41/19/569004119.db2.gz HTQPRIZDGJMXQY-UYRXBGFRSA-N 0 1 420.465 3.621 50 30 HHEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2ccccc2F)cc1 ZINC000006412939 569046902 /nfs/dbraw/zinc/04/69/02/569046902.db2.gz SPDKWZVGDDDITK-IBGZPJMESA-N 0 1 408.385 3.914 50 30 HHEAMN CN(C)c1ccc([C@@H]2C(C(=O)c3cccs3)C(=O)C(=O)N2C[C@@H]2CCCO2)cc1 ZINC000006812723 569136591 /nfs/dbraw/zinc/13/65/91/569136591.db2.gz HYCSXHSMNDFCNL-QFBILLFUSA-N 0 1 412.511 3.571 50 30 HHEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@@H]2c2ccc(F)cc2)cc1 ZINC000006381458 569279887 /nfs/dbraw/zinc/27/98/87/569279887.db2.gz XXVOOXVVCXBTCK-HXUWFJFHSA-N 0 1 411.429 3.615 50 30 HHEAMN COc1cc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2cc(C)on2)ccc1O ZINC000008770924 571117297 /nfs/dbraw/zinc/11/72/97/571117297.db2.gz VGAMCHNVYWYRIP-KRWDZBQOSA-N 0 1 412.423 3.542 50 30 HHEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2C)[C@H]1c1ccc(C)cc1 ZINC000009043012 571215213 /nfs/dbraw/zinc/21/52/13/571215213.db2.gz CPFJZCSMPZALDP-OAQYLSRUSA-N 0 1 409.482 3.927 50 30 HHEAMN C=CCOc1ccccc1CN1CCC[C@@H](CNS(=O)(=O)Cc2ccccc2)C1 ZINC000012431448 962278344 /nfs/dbraw/zinc/27/83/44/962278344.db2.gz RZHVARBOUWJWDW-NRFANRHFSA-N 0 1 414.571 3.583 50 30 HHEAMN C#CCOC[C@H](O)CN(Cc1cccn1Cc1ccc(F)cc1)Cc1ccccc1 ZINC000035840486 518313575 /nfs/dbraw/zinc/31/35/75/518313575.db2.gz IEJFDGYABWZMND-RUZDIDTESA-N 0 1 406.501 3.688 50 30 HHEAMN C=CCN1C(=O)N[C@@H](c2ccc(C)cc2)C(C(=O)OCC)=C1CN1CCC(C)CC1 ZINC000035991797 518839807 /nfs/dbraw/zinc/83/98/07/518839807.db2.gz IVKMOBNDTMHWLJ-QFIPXVFZSA-N 0 1 411.546 3.796 50 30 HHEAMN C=CCOC[C@@H](O)CN(Cc1c(-c2ccccc2)noc1N1CCCCC1)C1CC1 ZINC000036249841 518985864 /nfs/dbraw/zinc/98/58/64/518985864.db2.gz XAGKWYUFVBSSSI-NRFANRHFSA-N 0 1 411.546 3.860 50 30 HHEAMN C=CCOC[C@H](O)CN(Cc1cccc(F)c1)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000036146816 518994242 /nfs/dbraw/zinc/99/42/42/518994242.db2.gz IKIQBRWKZMGAPU-YADHBBJMSA-N 0 1 416.468 3.524 50 30 HHEAMN COc1cc([C@H]2C(C(=O)c3cccs3)C(=O)C(=O)N2Cc2cccnc2)ccc1O ZINC000008744096 522956672 /nfs/dbraw/zinc/95/66/72/522956672.db2.gz AQMOEBANJSZVKB-IBGZPJMESA-N 0 1 422.462 3.636 50 30 HHEAMN CCc1cc(=O)oc2cc(Oc3nc4ccccc4nc3C(C#N)C(=O)OC)ccc12 ZINC000032923286 523744566 /nfs/dbraw/zinc/74/45/66/523744566.db2.gz UWHKEEVGXZTADZ-MRXNPFEDSA-N 0 1 415.405 3.871 50 30 HHEAMN O=C(C1=C(O)C(=O)N(c2nccs2)[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000005062233 557633053 /nfs/dbraw/zinc/63/30/53/557633053.db2.gz UTBFAQKDNGXSRD-INIZCTEOSA-N 0 1 407.407 3.834 50 30 HHEAMN COc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2C[C@@H]2CCCO2)c1 ZINC000005595693 557664087 /nfs/dbraw/zinc/66/40/87/557664087.db2.gz VSABBQOKGMBAPR-ICSRJNTNSA-N 0 1 411.429 3.592 50 30 HHEAMN COc1ccc(-c2n[nH]c(=S)n2N=Cc2cccc(OC)c2OC)cc1OC ZINC000005704114 557669450 /nfs/dbraw/zinc/66/94/50/557669450.db2.gz MTCPNPHNXYDZKI-RGVLZGJSSA-N 0 1 400.460 3.524 50 30 HHEAMN COc1cccc(C=Nn2c(=S)[nH]nc2-c2cc(OC)c(OC)c(OC)c2)c1 ZINC000006007293 557684197 /nfs/dbraw/zinc/68/41/97/557684197.db2.gz KNVOOPRBXJQFTQ-RGVLZGJSSA-N 0 1 400.460 3.524 50 30 HHEAMN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(C[C@@H]4CCCO4)[C@H]3c3ccccc3)ccc2O1 ZINC000006160673 557692237 /nfs/dbraw/zinc/69/22/37/557692237.db2.gz YTMUEDRHVNYOJV-OHEPNIRZSA-N 0 1 419.477 3.767 50 30 HHEAMN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccc(F)cc2)s1 ZINC000006444666 557702704 /nfs/dbraw/zinc/70/27/04/557702704.db2.gz XRXUJDYQVWANJU-MRXNPFEDSA-N 0 1 413.405 3.908 50 30 HHEAMN O=C(C1=C(O)C(=O)N(c2nccs2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000008566424 557795274 /nfs/dbraw/zinc/79/52/74/557795274.db2.gz UTBFAQKDNGXSRD-MRXNPFEDSA-N 0 1 407.407 3.834 50 30 HHEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(O)cc2)cc1 ZINC000005800672 557796221 /nfs/dbraw/zinc/79/62/21/557796221.db2.gz JWJQGGWBRMSOFL-OAQYLSRUSA-N 0 1 400.434 3.874 50 30 HHEAMN O=[N+]([O-])c1cccc(C=N[N-]c2nc3nc4ccc(Br)cc4c-3[nH][nH+]2)c1 ZINC000008767303 557806384 /nfs/dbraw/zinc/80/63/84/557806384.db2.gz KZFZLVLYGVABCW-QGMBQPNBSA-N 0 1 412.207 3.623 50 30 HHEAMN O=C(C1=C(O)C(=O)N(c2ccccn2)[C@H]1c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000009313356 557836407 /nfs/dbraw/zinc/83/64/07/557836407.db2.gz NKSKUIXVLOPIME-IBGZPJMESA-N 0 1 419.368 3.912 50 30 HHEAMN O=C(c1ccccc1)C1C(=O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000018038420 558829903 /nfs/dbraw/zinc/82/99/03/558829903.db2.gz QQBBAHFEJJAFNO-HXUWFJFHSA-N 0 1 415.405 3.768 50 30 HHEAMN COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccccn2)[C@H]1c1cccnc1 ZINC000013690216 558855573 /nfs/dbraw/zinc/85/55/73/558855573.db2.gz XKWSMBMMNGKYDS-IBGZPJMESA-N 0 1 421.840 3.922 50 30 HHEAMN Cc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCCn2ccnc2)cc1 ZINC000086005698 559058049 /nfs/dbraw/zinc/05/80/49/559058049.db2.gz DVPDDQNCGICTPE-NRFANRHFSA-N 0 1 419.456 3.999 50 30 HHEAMN O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1cccc(O)c1)c1ccc(Cl)cc1 ZINC000005491171 560597450 /nfs/dbraw/zinc/59/74/50/560597450.db2.gz UMMMGUOOPQRKTC-MJGOQNOKSA-N 0 1 413.857 3.803 50 30 HHEAMN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccs2)cc1 ZINC000102550557 560817881 /nfs/dbraw/zinc/81/78/81/560817881.db2.gz FXWHBDDKBBMUHR-LFVOPCPISA-N 0 1 414.527 3.519 50 30 HHEAMN O=C(c1cccc([N+](=O)[O-])c1)C1C(=O)C(=O)N(Cc2ccco2)[C@H]1c1cccc(F)c1 ZINC000102603640 560817896 /nfs/dbraw/zinc/81/78/96/560817896.db2.gz RYOPTZALMQUEPU-WOOAAIBNSA-N 0 1 422.368 3.949 50 30 HHEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2ccccc2OC)cc1 ZINC000102879935 560833644 /nfs/dbraw/zinc/83/36/44/560833644.db2.gz OWVQBDNHIORVOP-JBCNATCCSA-N 0 1 419.433 3.919 50 30 HHEAMN CCOc1ccc([C@H]2C(C(=O)c3cccs3)C(=O)C(=O)N2C[C@@H]2CCCO2)cc1 ZINC000102927461 560834496 /nfs/dbraw/zinc/83/44/96/560834496.db2.gz MAKUNYQOVPTZNL-FXZWFTQCSA-N 0 1 413.495 3.748 50 30 HHEAMN COc1cccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(F)c2)c1 ZINC000102929131 560834739 /nfs/dbraw/zinc/83/47/39/560834739.db2.gz KSTKHVXDRDOYOJ-MRJHHRETSA-N 0 1 418.424 3.851 50 30 HHEAMN CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000104227506 560849900 /nfs/dbraw/zinc/84/99/00/560849900.db2.gz OTOCLBHSHOJRLH-IBOXJLQUSA-N 0 1 409.269 3.570 50 30 HHEAMN CCOc1cccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nnc(C)s2)c1 ZINC000000801614 568484799 /nfs/dbraw/zinc/48/47/99/568484799.db2.gz YDUIFTUMKNYGDZ-MRXNPFEDSA-N 0 1 411.439 3.621 50 30 HHEAMN COc1ccc(CCc2nc(NC(=O)Cn3ccc4c3cccc4OC)n[nH]2)cc1 ZINC000095473015 568628297 /nfs/dbraw/zinc/62/82/97/568628297.db2.gz FOATUZWQDLSEFX-UHFFFAOYSA-N 0 1 405.458 3.850 50 30 HHEAMN COc1ccc(CCc2n[nH]c(NC(=O)Cn3ccc4c3cccc4OC)n2)cc1 ZINC000095473015 568628298 /nfs/dbraw/zinc/62/82/98/568628298.db2.gz FOATUZWQDLSEFX-UHFFFAOYSA-N 0 1 405.458 3.850 50 30 HHEAMN O=C(c1ccsc1)N1CC[C@@]2(C1)Nc1cccnc1N=C2NCc1ccccc1 ZINC000096309972 568724164 /nfs/dbraw/zinc/72/41/64/568724164.db2.gz BUMYGQRODVOGMO-QFIPXVFZSA-N 0 1 403.511 3.864 50 30 biogenic HHEAMN Cc1ccc(C(=O)C2C(=O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000001071156 568765664 /nfs/dbraw/zinc/76/56/64/568765664.db2.gz NGIHSBYFGWEWRI-ICSRJNTNSA-N 0 1 422.437 3.661 50 30 HHEAMN CCCCOC(=O)c1ccc(N2CC(=O)C(c3nc4ccc(C)cc4[nH]3)=C2N)cc1 ZINC000007995058 568967273 /nfs/dbraw/zinc/96/72/73/568967273.db2.gz YISOYCQIIVQWHN-UHFFFAOYSA-N 0 1 404.470 3.545 50 30 HHEAMN COc1ccc(C(=O)[C@H]2CCCN(Cc3ccc(C#CCCO)cc3)C2)c(OC)c1 ZINC000012702360 568995860 /nfs/dbraw/zinc/99/58/60/568995860.db2.gz JSPRIJVFKXQTMJ-NRFANRHFSA-N 0 1 407.510 3.533 50 30 HHEAMN C#CCn1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)c2ccccc21 ZINC000000664721 569005875 /nfs/dbraw/zinc/00/58/75/569005875.db2.gz VVBPNSUSQZWIKP-CPNJWEJPSA-N 0 1 413.502 3.723 50 30 HHEAMN C#CCn1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c2ccccc21 ZINC000000682043 569005914 /nfs/dbraw/zinc/00/59/14/569005914.db2.gz ANOYUESZGUPKKZ-FOWTUZBSSA-N 0 1 419.893 3.759 50 30 HHEAMN C=CCc1cc(OC)ccc1OC[C@@H](O)CN1CCN(c2cccc(Cl)c2)CC1 ZINC000020109729 569018647 /nfs/dbraw/zinc/01/86/47/569018647.db2.gz VBAYAUJHYYTFOC-NRFANRHFSA-N 0 1 416.949 3.639 50 30 HHEAMN CCOc1ccc(-c2n[nH]c(=S)n2N=Cc2cc(OC)c(OC)cc2OC)cc1 ZINC000006351456 569045138 /nfs/dbraw/zinc/04/51/38/569045138.db2.gz VHHGCHADTXNUAA-CIAFOILYSA-N 0 1 414.487 3.914 50 30 HHEAMN COc1cc(C=Nn2c(C(F)(F)F)n[nH]c2=S)ccc1OC(=O)c1ccccc1 ZINC000001918410 569059366 /nfs/dbraw/zinc/05/93/66/569059366.db2.gz LORFDKKGTAAASF-LSHDLFTRSA-N 0 1 422.388 3.696 50 30 HHEAMN CCOc1ccc([C@H]2C(C(=O)c3cccs3)C(=O)C(=O)N2C[C@H]2CCCO2)cc1 ZINC000006784132 569121379 /nfs/dbraw/zinc/12/13/79/569121379.db2.gz TVISKPKKYLKPAZ-APWZRJJASA-N 0 1 413.495 3.904 50 30 HHEAMN Cc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000006813172 569136715 /nfs/dbraw/zinc/13/67/15/569136715.db2.gz MPWWRFJGFYZIQP-JBCNATCCSA-N 0 1 404.466 3.725 50 30 HHEAMN Cc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000006813210 569136858 /nfs/dbraw/zinc/13/68/58/569136858.db2.gz MPWWRFJGFYZIQP-MRJHHRETSA-N 0 1 404.466 3.725 50 30 HHEAMN C=CCNC(=O)CCCCCn1c(=O)c2cc(Br)ccc2[nH]c1=S ZINC000002973787 569322666 /nfs/dbraw/zinc/32/26/66/569322666.db2.gz YJFRMOQMRFZARA-UHFFFAOYSA-N 0 1 410.337 3.684 50 30 HHEAMN CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)Nc3ccccc3)C1=O)O2 ZINC000253414477 569366933 /nfs/dbraw/zinc/36/69/33/569366933.db2.gz XPFSFYYQNTXFRI-JYFCICGUSA-N 0 1 419.433 3.681 50 30 biogenic HHEAMN N#CC(C(=O)NCCc1ccccc1)c1nc2ccccc2nc1N1CCCCCC1 ZINC000002313113 569374013 /nfs/dbraw/zinc/37/40/13/569374013.db2.gz ACBKTIQMPATCTA-HXUWFJFHSA-N 0 1 413.525 3.976 50 30 HHEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccco2)nc1C ZINC000008816750 571121239 /nfs/dbraw/zinc/12/12/39/571121239.db2.gz BQVHSMWSHSCWBX-OAHLLOKOSA-N 0 1 424.434 3.614 50 30 HHEAMN CSc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(C)o3)[C@@H]2c2ccccc2)s1 ZINC000009014546 571211264 /nfs/dbraw/zinc/21/12/64/571211264.db2.gz JRIJKMBMMAYPPW-AWEZNQCLSA-N 0 1 413.480 3.944 50 30 HHEAMN N#Cc1ccc([C@@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccccc2)cc1 ZINC000245310745 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521686443 /nfs/dbraw/zinc/68/64/43/521686443.db2.gz OAFKBXQYZHEGJJ-HMAPJEAMSA-N 0 1 404.466 3.892 50 30 HHEAMN N#Cc1c(=O)[nH]c(SCC(=O)Nc2ccc(F)cc2Cl)nc1-c1ccccc1 ZINC000032778468 526517427 /nfs/dbraw/zinc/51/74/27/526517427.db2.gz VYEBDQFVCUCBAD-UHFFFAOYSA-N 0 1 414.849 3.832 50 30 HHEAMN COc1ccc(C=NN=c2[nH]c3ccccc3s2)cc1Cn1cc([N+](=O)[O-])cn1 ZINC000005022723 557626822 /nfs/dbraw/zinc/62/68/22/557626822.db2.gz GUCVUFWFYXXVDY-AWQFTUOYSA-N 0 1 408.443 3.904 50 30 HHEAMN COc1ccc(C=[NH+][N-]c2nc3ccccc3s2)cc1Cn1cc([N+](=O)[O-])cn1 ZINC000005022723 557626824 /nfs/dbraw/zinc/62/68/24/557626824.db2.gz GUCVUFWFYXXVDY-AWQFTUOYSA-N 0 1 408.443 3.904 50 30 HHEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@H]1c1cccc(O)c1 ZINC000006785936 557720996 /nfs/dbraw/zinc/72/09/96/557720996.db2.gz OXESYAPAOSSIMJ-GOSISDBHSA-N 0 1 401.846 3.660 50 30 HHEAMN CCCCN(CCCC)c1nc2ccccc2nc1C(C#N)C(=O)NCCCOC ZINC000004328618 558260564 /nfs/dbraw/zinc/26/05/64/558260564.db2.gz YNKXIWSRADWZGE-GOSISDBHSA-N 0 1 411.550 3.796 50 30 HHEAMN CCCOc1cccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccs2)c1 ZINC000019973895 558316762 /nfs/dbraw/zinc/31/67/62/558316762.db2.gz NUSIMDXILZIRJE-LJQANCHMSA-N 0 1 414.527 3.677 50 30 HHEAMN C=CCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000018084649 558830842 /nfs/dbraw/zinc/83/08/42/558830842.db2.gz NJZDKRKOXMUNCE-QFIPXVFZSA-N 0 1 420.509 3.700 50 30 HHEAMN C=CCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCN(C)C)cc1 ZINC000018084649 558830844 /nfs/dbraw/zinc/83/08/44/558830844.db2.gz NJZDKRKOXMUNCE-QFIPXVFZSA-N 0 1 420.509 3.700 50 30 HHEAMN Cc1cc(C)n(-c2nc(C)cc(NN=Cc3cc(Br)ccc3O)n2)n1 ZINC000004676738 558888852 /nfs/dbraw/zinc/88/88/52/558888852.db2.gz SOABHEAPFASJTC-DJKKODMXSA-N 0 1 401.268 3.502 50 30 HHEAMN Cc1nc(NC(=O)c2ccc(CN3CCSCC3)cc2)sc1SCC#N ZINC000058244794 558914335 /nfs/dbraw/zinc/91/43/35/558914335.db2.gz KWIDTPUHGVSGSY-UHFFFAOYSA-N 0 1 404.586 3.868 50 30 HHEAMN COc1cnc(NS(=O)(=O)c2ccc(/N=C/c3cccc(Cl)c3)cc2)nc1 ZINC000100685298 559256263 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OODXWJYUOHHCHO-NHFXJNLRSA-N 0 1 413.445 3.601 50 30 HHEAMN O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccccn1 ZINC000102805666 560827246 /nfs/dbraw/zinc/82/72/46/560827246.db2.gz KRMKRIWSEOVBPS-LFVOPCPISA-N 0 1 405.841 3.752 50 30 HHEAMN COc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nnc(C)s2)cc1 ZINC000102797309 560827942 /nfs/dbraw/zinc/82/79/42/560827942.db2.gz QYPATNPUPIMNOH-DPEHCCBOSA-N 0 1 413.480 3.543 50 30 HHEAMN COCCN1C(=O)C(=O)C(C(=O)c2cccs2)[C@H]1c1cccc(Br)c1 ZINC000102800308 560828388 /nfs/dbraw/zinc/82/83/88/560828388.db2.gz LAGHPQZEZZSFJT-DPEHCCBOSA-N 0 1 422.300 3.579 50 30 HHEAMN Cc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(F)cc2)cc1 ZINC000102930497 560836076 /nfs/dbraw/zinc/83/60/76/560836076.db2.gz ZOHCMDDPDWAAIO-MRJHHRETSA-N 0 1 419.456 3.843 50 30 HHEAMN N#CCCN(Cc1ccco1)C(=O)CSc1nc(C=Cc2ccc(F)cc2)n[nH]1 ZINC000014897972 568453417 /nfs/dbraw/zinc/45/34/17/568453417.db2.gz UGFYDHJPJAGPAQ-RMKNXTFCSA-N 0 1 411.462 3.742 50 30 HHEAMN C=CCc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3)C2=O)cc(OCC)c1O ZINC000002801937 568460151 /nfs/dbraw/zinc/46/01/51/568460151.db2.gz YBARZBAWIKVSBC-LDADJPATSA-N 0 1 422.506 3.659 50 30 HHEAMN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000020231529 568595489 /nfs/dbraw/zinc/59/54/89/568595489.db2.gz CAUQLUYLEBAJCA-JOCHJYFZSA-N 0 1 422.525 3.924 50 30 HHEAMN Cc1cc(=O)[nH]c(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1C#N ZINC000003308887 568877775 /nfs/dbraw/zinc/87/77/75/568877775.db2.gz CYPVPPRSXYEXNK-UHFFFAOYSA-N 0 1 401.797 3.958 50 30 HHEAMN O=C(c1ccccc1)C1C(=O)C(=O)N(Cc2cccnc2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000018045052 569006221 /nfs/dbraw/zinc/00/62/21/569006221.db2.gz FKVWRADRRPJAPT-FQEVSTJZSA-N 0 1 415.405 3.768 50 30 HHEAMN COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2cccc(C#N)c2)cc1 ZINC000006146421 569014510 /nfs/dbraw/zinc/01/45/10/569014510.db2.gz RCSHIBKOJYDKCG-UHFFFAOYSA-N 0 1 407.451 3.620 50 30 HHEAMN Cc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccncc2)cc1F ZINC000005409131 569071929 /nfs/dbraw/zinc/07/19/29/569071929.db2.gz RFPQXZMWKGNGEC-HXUWFJFHSA-N 0 1 403.413 3.703 50 30 HHEAMN COc1ccc(/C=N/N=C2\SC(C)C(=O)N2Cc2ccc(F)cc2)c(OC)c1 ZINC000002341110 569376344 /nfs/dbraw/zinc/37/63/44/569376344.db2.gz OXHQWKDAUFNWNW-UHZGMDFESA-N 0 1 401.463 3.697 50 30 HHEAMN CCOc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2cc(C)on2)cc1OC ZINC000009244006 571240978 /nfs/dbraw/zinc/24/09/78/571240978.db2.gz MUTRVXSMVLHADA-IBGZPJMESA-N 0 1 424.409 3.766 50 30 HHEAMN C#CCn1cc(/C=C2/C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)c2ccccc21 ZINC000005783808 960779420 /nfs/dbraw/zinc/77/94/20/960779420.db2.gz VVBPNSUSQZWIKP-UYRXBGFRSA-N 0 1 413.502 3.723 50 30 HHEAMN C=CCOC[C@H](O)CN(Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036147178 518994403 /nfs/dbraw/zinc/99/44/03/518994403.db2.gz JRECSVGSSQHFRA-YADHBBJMSA-N 0 1 414.933 3.899 50 30 HHEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2ccncc2)cc1F ZINC000026459218 523565613 /nfs/dbraw/zinc/56/56/13/523565613.db2.gz BEMUAAGURMCABU-LJQANCHMSA-N 0 1 408.385 3.601 50 30 HHEAMN COc1cccc([C@@H]2C(C(=O)C=Cc3ccco3)C(=O)C(=O)N2Cc2cccnc2)c1 ZINC000033542156 524109649 /nfs/dbraw/zinc/10/96/49/524109649.db2.gz RXQDKAMSLMUGBJ-MZMPXXGTSA-N 0 1 416.433 3.861 50 30 HHEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(C(C)C)s3)[C@@H]2c2cccnc2)o1 ZINC000000799379 557083943 /nfs/dbraw/zinc/08/39/43/557083943.db2.gz GUZBBMJMFZROAN-OAHLLOKOSA-N 0 1 410.455 3.741 50 30 HHEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccncc2)c(C)c1 ZINC000000914475 557116970 /nfs/dbraw/zinc/11/69/70/557116970.db2.gz KRWJFYUXJRZRPA-NRFANRHFSA-N 0 1 415.449 3.572 50 30 HHEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc(OC)c1 ZINC000005118802 557637175 /nfs/dbraw/zinc/63/71/75/557637175.db2.gz LWBHEPVXMYBLDR-IBGZPJMESA-N 0 1 415.873 3.963 50 30 HHEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000005118796 557637193 /nfs/dbraw/zinc/63/71/93/557637193.db2.gz RLNDBDMYFKDUIM-LJQANCHMSA-N 0 1 415.873 3.963 50 30 HHEAMN CCCOc1cccc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCN(C)C)c1 ZINC000019999654 558317853 /nfs/dbraw/zinc/31/78/53/558317853.db2.gz XREPAUXCJSHLPN-FQEVSTJZSA-N 0 1 412.486 3.517 50 30 HHEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@H]1c1ccccc1 ZINC000017782131 558827967 /nfs/dbraw/zinc/82/79/67/558827967.db2.gz GMQGMELXLNGIBD-QVKFZJNVSA-N 0 1 407.466 3.625 50 30 HHEAMN O=C(C1=C(O)C(=O)N(CCc2c[nH]cn2)[C@@H]1c1cccc(F)c1)c1ccc(F)cc1 ZINC000004626067 558890299 /nfs/dbraw/zinc/89/02/99/558890299.db2.gz LFMHAUMOLPNFIH-LJQANCHMSA-N 0 1 409.392 3.509 50 30 HHEAMN O=C(c1ccccc1)C1C(=O)C(=O)N(CCCn2ccnc2)[C@H]1c1cccc(F)c1 ZINC000085902144 559057812 /nfs/dbraw/zinc/05/78/12/559057812.db2.gz OQIFHDIODJVFEC-FQEVSTJZSA-N 0 1 405.429 3.691 50 30 HHEAMN CCOc1cccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccncc2)c1 ZINC000005408599 560583652 /nfs/dbraw/zinc/58/36/52/560583652.db2.gz BCOGJKIJSSZROU-NRFANRHFSA-N 0 1 415.449 3.654 50 30 HHEAMN O=C(c1ccccc1)C1C(=O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000102534513 560813670 /nfs/dbraw/zinc/81/36/70/560813670.db2.gz NQJYHQBWUXYUAH-NHFXJNLRSA-N 0 1 415.405 3.612 50 30 HHEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(C(C)C)cc1 ZINC000102509989 560814882 /nfs/dbraw/zinc/81/48/82/560814882.db2.gz LQDWTLQZIYSWME-MRJHHRETSA-N 0 1 409.482 3.887 50 30 HHEAMN Cc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccccc2)cc1 ZINC000102510809 560815191 /nfs/dbraw/zinc/81/51/91/560815191.db2.gz RADIMLHXOAMVNP-MRJHHRETSA-N 0 1 401.466 3.704 50 30 HHEAMN CC(C)c1nnc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2cccnc2)s1 ZINC000102741126 560823535 /nfs/dbraw/zinc/82/35/35/560823535.db2.gz KQTUULPGSMXBOG-MRPLLJTBSA-N 0 1 412.496 3.744 50 30 HHEAMN CC(C)c1nnc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccccn2)s1 ZINC000102741444 560823699 /nfs/dbraw/zinc/82/36/99/560823699.db2.gz VDLKYBLYBIWQTM-SXWSKBOKSA-N 0 1 412.496 3.744 50 30 HHEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2cccc([N+](=O)[O-])c2)no1 ZINC000102803398 560826502 /nfs/dbraw/zinc/82/65/02/560826502.db2.gz PGIMXPUWHIRQMM-UYTDBDHRSA-N 0 1 411.395 3.579 50 30 HHEAMN Cc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCCn2ccnc2)cc1 ZINC000102803642 560826550 /nfs/dbraw/zinc/82/65/50/560826550.db2.gz YKKBGJJXSCTSPG-MRJHHRETSA-N 0 1 419.456 3.843 50 30 HHEAMN Cc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCCn2ccnc2)cc1 ZINC000102803640 560826660 /nfs/dbraw/zinc/82/66/60/560826660.db2.gz YKKBGJJXSCTSPG-JBCNATCCSA-N 0 1 419.456 3.843 50 30 HHEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2C)[C@H]1c1ccc(F)cc1 ZINC000102803583 560826687 /nfs/dbraw/zinc/82/66/87/560826687.db2.gz OODXWJYUOHHCHO-YDJIHCHBSA-N 0 1 413.445 3.601 50 30 HHEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)no1 ZINC000102804220 560826788 /nfs/dbraw/zinc/82/67/88/560826788.db2.gz CYCORCAOOBAGCG-GHNGSUTGSA-N 0 1 405.366 3.518 50 30 HHEAMN O=C(c1ccc(F)cc1)C1C(=O)C(=O)N(CCCn2ccnc2)[C@H]1c1ccccc1 ZINC000104185682 560849332 /nfs/dbraw/zinc/84/93/32/560849332.db2.gz TVVGXGACCBNJOX-NHFXJNLRSA-N 0 1 405.429 3.534 50 30 HHEAMN C=CCOC[C@H](O)CN(Cc1ccc(F)cc1)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000104984551 560859076 /nfs/dbraw/zinc/85/90/76/560859076.db2.gz YEIYKKMGEAXLGM-FGZHOGPDSA-N 0 1 416.468 3.524 50 30 HHEAMN CCCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000020233126 568595352 /nfs/dbraw/zinc/59/53/52/568595352.db2.gz SMROCVRBNMPPGD-NRFANRHFSA-N 0 1 408.498 3.615 50 30 HHEAMN CCCOc1ccc([C@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCN(C)C)cc1 ZINC000020233126 568595354 /nfs/dbraw/zinc/59/53/54/568595354.db2.gz SMROCVRBNMPPGD-NRFANRHFSA-N 0 1 408.498 3.615 50 30 HHEAMN O=C(c1ccco1)N1CCC2(CC1)Nc1cccnc1N=C2NCc1ccccc1 ZINC000096309698 568724074 /nfs/dbraw/zinc/72/40/74/568724074.db2.gz PBEOFWYMWRRURM-UHFFFAOYSA-N 0 1 401.470 3.786 50 30 biogenic HHEAMN N#Cc1ccc(NS(=O)(=O)c2c[nH]c(-c3nnc(-c4ccc(F)cc4)o3)c2)cc1 ZINC000096321625 568728809 /nfs/dbraw/zinc/72/88/09/568728809.db2.gz IKWVRZZFWYIEOJ-UHFFFAOYSA-N 0 1 409.402 3.543 50 30 HHEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000005799208 568734725 /nfs/dbraw/zinc/73/47/25/568734725.db2.gz SQNJDPRAMAAADH-MOBKVPTQSA-N 0 1 422.525 3.802 50 30 HHEAMN CCOc1cc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nccs2)ccc1O ZINC000096336517 568736800 /nfs/dbraw/zinc/73/68/00/568736800.db2.gz VNEPBDGULRAWKY-INIZCTEOSA-N 0 1 412.423 3.623 50 30 HHEAMN Cc1ccc(C(=O)C2C(=O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000001071144 568765600 /nfs/dbraw/zinc/76/56/00/568765600.db2.gz NGIHSBYFGWEWRI-QUCCMNQESA-N 0 1 422.437 3.661 50 30 HHEAMN N#CC(C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1nc2ccccc2s1 ZINC000005959256 568832393 /nfs/dbraw/zinc/83/23/93/568832393.db2.gz PCYIRRRCNIRAIA-MRXNPFEDSA-N 0 1 411.508 3.571 50 30 HHEAMN N#C[C@H](C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1nc2ccccc2s1 ZINC000005959256 568832396 /nfs/dbraw/zinc/83/23/96/568832396.db2.gz PCYIRRRCNIRAIA-MRXNPFEDSA-N 0 1 411.508 3.571 50 30 HHEAMN COc1ccc(C(=O)[C@@H]2CCCN(Cc3ccc(C#CCCO)cc3)C2)cc1OC ZINC000011840546 568992488 /nfs/dbraw/zinc/99/24/88/568992488.db2.gz XCODPQLIKBLGHC-JOCHJYFZSA-N 0 1 407.510 3.533 50 30 HHEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(OC)cc1 ZINC000006238864 569034352 /nfs/dbraw/zinc/03/43/52/569034352.db2.gz DNBIRDLPWFBAIM-IBGZPJMESA-N 0 1 415.873 3.963 50 30 HHEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000006813180 569136789 /nfs/dbraw/zinc/13/67/89/569136789.db2.gz YQXBUCFOYKTONZ-TZIWHRDSSA-N 0 1 407.466 3.761 50 30 HHEAMN CCCCCCOC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCN(CC)CC1 ZINC000002265468 569325700 /nfs/dbraw/zinc/32/57/00/569325700.db2.gz LESCIQXAQACJGP-GOSISDBHSA-N 0 1 409.534 3.502 50 30 HHEAMN N#CCN(C(=O)c1cccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1)C1CC1 ZINC000078714203 569419787 /nfs/dbraw/zinc/41/97/87/569419787.db2.gz SVLNYKOEVCDHFA-UHFFFAOYSA-N 0 1 424.309 3.922 50 30 HHEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccco2)nc1C ZINC000008817937 571121419 /nfs/dbraw/zinc/12/14/19/571121419.db2.gz BQVHSMWSHSCWBX-HNNXBMFYSA-N 0 1 424.434 3.614 50 30 HHEAMN CCOc1ccc([C@@H]2C(C(=O)c3cccs3)C(=O)C(=O)N2C[C@H]2CCCO2)cc1 ZINC000009184911 571234718 /nfs/dbraw/zinc/23/47/18/571234718.db2.gz TVISKPKKYLKPAZ-VQIMIIECSA-N 0 1 413.495 3.904 50 30 HHEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCOC)[C@H]2c2ccc(O)cc2)cc1 ZINC000009360694 571251556 /nfs/dbraw/zinc/25/15/56/571251556.db2.gz CWTBREHHUIOHDL-NRFANRHFSA-N 0 1 423.465 3.572 50 30 HHEAMN C#CCOC[C@@H](O)CN(Cc1cccn1Cc1ccc(F)cc1)Cc1ccccc1 ZINC000035840488 518305835 /nfs/dbraw/zinc/30/58/35/518305835.db2.gz IEJFDGYABWZMND-VWLOTQADSA-N 0 1 406.501 3.688 50 30 HHEAMN CCC1S/C(=N\N=C\c2cccc([N+](=O)[O-])c2)N(Cc2ccc(F)cc2)C1=O ZINC000033929028 523420866 /nfs/dbraw/zinc/42/08/66/523420866.db2.gz PSZLSWIRGPJCIQ-MDYBQJBMSA-N 0 1 400.435 3.978 50 30 HHEAMN COC(=O)c1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cc(C)on2)cc1 ZINC000001108671 557181284 /nfs/dbraw/zinc/18/12/84/557181284.db2.gz AZBFGBVIPSSWCB-IBGZPJMESA-N 0 1 418.405 3.553 50 30 HHEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@H]2c2ccccc2)cc1Cl ZINC000004114961 557515344 /nfs/dbraw/zinc/51/53/44/557515344.db2.gz MMLYCMQVBKVQJR-IBGZPJMESA-N 0 1 415.873 3.963 50 30 HHEAMN O=C(C1=C(O)C(=O)N(c2nccs2)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000005595964 557664282 /nfs/dbraw/zinc/66/42/82/557664282.db2.gz NGWOVEFMSOWGLN-INIZCTEOSA-N 0 1 407.407 3.834 50 30 HHEAMN O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccncc1 ZINC000006025496 557684593 /nfs/dbraw/zinc/68/45/93/557684593.db2.gz QDMQTSOGWUYXCQ-LJQANCHMSA-N 0 1 405.841 3.909 50 30 HHEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1ccc(C)cc1 ZINC000006407174 557701589 /nfs/dbraw/zinc/70/15/89/557701589.db2.gz KVNIYTZHGOYWQT-OAQYLSRUSA-N 0 1 409.482 3.927 50 30 HHEAMN C=CCOc1ccc([C@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCCOC)cc1 ZINC000006786102 557721201 /nfs/dbraw/zinc/72/12/01/557721201.db2.gz YLUVTZVPVNETEG-NRFANRHFSA-N 0 1 407.466 3.866 50 30 HHEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3ncccn3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000008740979 557803642 /nfs/dbraw/zinc/80/36/42/557803642.db2.gz JZFYGYMRMMQLSJ-SFHVURJKSA-N 0 1 421.840 3.922 50 30 HHEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nncs3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000009334267 557837597 /nfs/dbraw/zinc/83/75/97/557837597.db2.gz UDWKVKCJCSUAGW-MRXNPFEDSA-N 0 1 422.422 3.538 50 30 HHEAMN CC(C)Oc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000020227933 558349585 /nfs/dbraw/zinc/34/95/85/558349585.db2.gz TUMWLGKKNRMTLE-LJQANCHMSA-N 0 1 414.527 3.675 50 30 HHEAMN CCn1cc(/C=C2/Oc3c(ccc(O)c3CN3CCOCC3)C2=O)c2ccccc21 ZINC000020625037 558394755 /nfs/dbraw/zinc/39/47/55/558394755.db2.gz ZBDQVKSQBBZJIX-LPYMAVHISA-N 0 1 404.466 3.815 50 30 HHEAMN CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccccc2)cc1 ZINC000013003102 558501078 /nfs/dbraw/zinc/50/10/78/558501078.db2.gz OHFCYCTVKMOZOK-QFIPXVFZSA-N 0 1 422.525 3.861 50 30 HHEAMN CC(C)COc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccccc2)cc1 ZINC000013003102 558501080 /nfs/dbraw/zinc/50/10/80/558501080.db2.gz OHFCYCTVKMOZOK-QFIPXVFZSA-N 0 1 422.525 3.861 50 30 HHEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CC=C)[C@H]2c2ccc(O)c(OC)c2)cc1 ZINC000016741324 558803539 /nfs/dbraw/zinc/80/35/39/558803539.db2.gz FKUJOYILTXFXAH-NRFANRHFSA-N 0 1 421.449 3.730 50 30 HHEAMN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCOC)[C@@H]2c2ccncc2)c(C)c1 ZINC000017044823 558812967 /nfs/dbraw/zinc/81/29/67/558812967.db2.gz SUUNMDYJHXWDEJ-OAQYLSRUSA-N 0 1 424.497 3.794 50 30 HHEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@H]1c1ccccc1 ZINC000018009208 558829459 /nfs/dbraw/zinc/82/94/59/558829459.db2.gz GMQGMELXLNGIBD-YCRPNKLZSA-N 0 1 407.466 3.625 50 30 HHEAMN O=C(c1ccc(F)cc1)C1C(=O)C(=O)N(CCCn2ccnc2)[C@@H]1c1ccc(F)cc1 ZINC000018009061 558829523 /nfs/dbraw/zinc/82/95/23/558829523.db2.gz ZCQQLOJAXBBSRR-HXUWFJFHSA-N 0 1 423.419 3.830 50 30 HHEAMN Cc1n[nH]c(C)c1C(=O)C1C(=O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(Cl)cc1 ZINC000013690574 558855568 /nfs/dbraw/zinc/85/55/68/558855568.db2.gz YMUFBTZSGVYLAV-LJQANCHMSA-N 0 1 422.872 3.853 50 30 HHEAMN Cc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(F)cc2)cc1 ZINC000085902139 559057833 /nfs/dbraw/zinc/05/78/33/559057833.db2.gz KCJNCXYLDXVKQF-NRFANRHFSA-N 0 1 419.456 3.999 50 30 HHEAMN Cc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccccc2)cc1 ZINC000095393470 559080839 /nfs/dbraw/zinc/08/08/39/559080839.db2.gz OPIUQFIMTHKVSE-NRFANRHFSA-N 0 1 401.466 3.860 50 30 HHEAMN CCOc1cccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2cccnc2)c1 ZINC000005408619 560583643 /nfs/dbraw/zinc/58/36/43/560583643.db2.gz FZTGHKGYXKNMOX-HXUWFJFHSA-N 0 1 404.422 3.852 50 30 HHEAMN C=CCOc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2cc(C)on2)cc1 ZINC000101294471 560791047 /nfs/dbraw/zinc/79/10/47/560791047.db2.gz WRPFQGSOTPIECU-LFVOPCPISA-N 0 1 406.394 3.767 50 30 HHEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2cccc(OC)c2)cc1 ZINC000102526524 560816327 /nfs/dbraw/zinc/81/63/27/560816327.db2.gz RUOLHLHPXOZJIH-JBCNATCCSA-N 0 1 419.433 3.919 50 30 HHEAMN CSc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(C)o3)[C@H]2c2ccccc2)s1 ZINC000102599942 560817669 /nfs/dbraw/zinc/81/76/69/560817669.db2.gz HVLUCBLCYOFOIX-SXWSKBOKSA-N 0 1 413.480 3.788 50 30 HHEAMN C[C@H]1CCCN(c2nc3ccccc3nc2C(C#N)C(=O)NCCc2ccccc2)C1 ZINC000102682823 560821269 /nfs/dbraw/zinc/82/12/69/560821269.db2.gz CBALFVVIWBBBOK-ICSRJNTNSA-N 0 1 413.525 3.832 50 30 HHEAMN COc1ccccc1[C@@H]1C(C(=O)c2ccc(F)cc2)=C(O)C(=O)N1c1cc(C)on1 ZINC000102803290 560826424 /nfs/dbraw/zinc/82/64/24/560826424.db2.gz ULTNIFOBIKJRJD-LFVOPCPISA-N 0 1 408.385 3.757 50 30 HHEAMN O=C(C1=C(O)C(=O)N(c2ncccn2)[C@H]1c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000102804294 560826815 /nfs/dbraw/zinc/82/68/15/560826815.db2.gz QSUJCLSFPMUXNL-HVESIFNPSA-N 0 1 409.804 3.895 50 30 HHEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3ncccn3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000102804609 560827004 /nfs/dbraw/zinc/82/70/04/560827004.db2.gz COPVHATUVKENNL-GHNGSUTGSA-N 0 1 421.840 3.765 50 30 HHEAMN COc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nnc(C)s2)cc1 ZINC000102797311 560827957 /nfs/dbraw/zinc/82/79/57/560827957.db2.gz QYPATNPUPIMNOH-IDTYTIONSA-N 0 1 413.480 3.543 50 30 HHEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(F)cc1 ZINC000102865566 560832563 /nfs/dbraw/zinc/83/25/63/560832563.db2.gz LNGDTNCTJHUYTM-SELCWUDQSA-N 0 1 403.837 3.937 50 30 HHEAMN CCCCCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCN(CCO)CC1 ZINC000020131812 568589654 /nfs/dbraw/zinc/58/96/54/568589654.db2.gz KLMSEMDFWPLOIN-UHFFFAOYSA-N 0 1 405.546 3.515 50 30 HHEAMN Cc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000020133059 568589952 /nfs/dbraw/zinc/58/99/52/568589952.db2.gz FEFJQYKHKNUXER-NRFANRHFSA-N 0 1 404.466 3.881 50 30 HHEAMN Cc1ccccc1OCC(=O)N1CC[C@@]2(C1)Nc1cccnc1N=C2NC1CCCC1 ZINC000096310030 568724251 /nfs/dbraw/zinc/72/42/51/568724251.db2.gz DAVRTBOLFKKLOE-DEOSSOPVSA-N 0 1 419.529 3.619 50 30 biogenic HHEAMN COc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2cc(C)on2)c1 ZINC000005800490 568735347 /nfs/dbraw/zinc/73/53/47/568735347.db2.gz VTIOWGYPAVSKSI-LJQANCHMSA-N 0 1 408.385 3.914 50 30 HHEAMN CCCCc1ccc(CC2S/C(=N\N=C\c3ccc(O)c(OC)c3)NC2=O)cc1 ZINC000002670946 568800353 /nfs/dbraw/zinc/80/03/53/568800353.db2.gz JTGFGJXHEZBHPS-BTVXTAIASA-N 0 1 411.527 3.908 50 30 HHEAMN N#Cc1cccc(NC(=O)CSc2nc(-c3ccc(Br)cc3)n[nH]2)c1 ZINC000003322368 568880633 /nfs/dbraw/zinc/88/06/33/568880633.db2.gz GKQVMEPXVNHWHA-UHFFFAOYSA-N 0 1 414.288 3.837 50 30 HHEAMN COc1cccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cccs2)c1 ZINC000004312667 568961159 /nfs/dbraw/zinc/96/11/59/568961159.db2.gz BNWPGURVQQYTIV-IBGZPJMESA-N 0 1 406.463 3.930 50 30 HHEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2cccc([N+](=O)[O-])c2)no1 ZINC000001450451 568986047 /nfs/dbraw/zinc/98/60/47/568986047.db2.gz UVDCOPJHGWRKKY-GOSISDBHSA-N 0 1 423.356 3.813 50 30 HHEAMN COc1ccc(C(=O)[C@@H]2CCCN(Cc3ccc(C#CCCO)cc3)C2)c(OC)c1 ZINC000012702355 568995795 /nfs/dbraw/zinc/99/57/95/568995795.db2.gz JSPRIJVFKXQTMJ-OAQYLSRUSA-N 0 1 407.510 3.533 50 30 HHEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000012970078 569039672 /nfs/dbraw/zinc/03/96/72/569039672.db2.gz RRVLTZAFAAMDRA-AZUAARDMSA-N 0 1 411.429 3.592 50 30 HHEAMN COc1ccccc1-c1n[nH]c(=S)n1N=Cc1cc(OC)c(OC)cc1OC ZINC000006166197 569279660 /nfs/dbraw/zinc/27/96/60/569279660.db2.gz NIZCGYVSPLTGGT-RGVLZGJSSA-N 0 1 400.460 3.524 50 30 HHEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C)cc2)cc1 ZINC000013208366 569410297 /nfs/dbraw/zinc/41/02/97/569410297.db2.gz UBKHNJPIYUSRQS-JOCHJYFZSA-N 0 1 422.525 3.924 50 30 HHEAMN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C)cc2)cc1 ZINC000013208366 569410298 /nfs/dbraw/zinc/41/02/98/569410298.db2.gz UBKHNJPIYUSRQS-JOCHJYFZSA-N 0 1 422.525 3.924 50 30 HHEAMN COc1ccc(CN2CCN(c3cc(C)c(C#N)c4nc5ccccc5n43)CC2)cc1 ZINC000019901666 569433218 /nfs/dbraw/zinc/43/32/18/569433218.db2.gz RDMLEOHUFXRJKZ-UHFFFAOYSA-N 0 1 411.509 3.998 50 30 HHEAMN COCc1c(C(=O)OCC(=O)[C@@H](C#N)c2nc(C)cs2)sc2cccc(F)c21 ZINC000009244943 571241229 /nfs/dbraw/zinc/24/12/29/571241229.db2.gz KCLBWUFZFDHMMM-LLVKDONJSA-N 0 1 418.471 3.985 50 30 HHEAMN COCc1c(C(=O)OCC(=O)C(C#N)c2nc(C)cs2)sc2cccc(F)c21 ZINC000009244943 571241231 /nfs/dbraw/zinc/24/12/31/571241231.db2.gz KCLBWUFZFDHMMM-LLVKDONJSA-N 0 1 418.471 3.985 50 30 HHEAMN CCOc1cc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2cc(C)on2)ccc1O ZINC000009456365 571260282 /nfs/dbraw/zinc/26/02/82/571260282.db2.gz HBPDTLBBQROETM-IBGZPJMESA-N 0 1 424.409 3.772 50 30 HHEAMN Cn1c(Cl)c(C=NN2CC(=O)C(c3nc4ccccc4s3)=C2N)c2ccccc21 ZINC000254826613 970580408 /nfs/dbraw/zinc/58/04/08/970580408.db2.gz FUHLQJYDPNLTML-UHFFFAOYSA-N 0 1 421.913 3.988 50 30 HHEAMN C=CCOC[C@@H](O)CN(Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000036146607 518988395 /nfs/dbraw/zinc/98/83/95/518988395.db2.gz YEIYKKMGEAXLGM-VXKWHMMOSA-N 0 1 416.468 3.524 50 30 HHEAMN C=CCOC[C@@H](O)CN(Cc1cccc(F)c1)C[C@H]1CC(c2ccccc2C)=NO1 ZINC000036145935 518988868 /nfs/dbraw/zinc/98/88/68/518988868.db2.gz QDOJHBXEYVTYIG-FCHUYYIVSA-N 0 1 412.505 3.693 50 30 HHEAMN C=CCn1cnn(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)c1=S ZINC000022474827 519285107 /nfs/dbraw/zinc/28/51/07/519285107.db2.gz IFTJJLWPLLDFMX-UHFFFAOYSA-N 0 1 405.571 3.965 50 30 HHEAMN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCOC)[C@H]2c2ccncc2)cc1C ZINC000102708186 520852523 /nfs/dbraw/zinc/85/25/23/520852523.db2.gz QTMWRVLDYMLJGZ-MRJHHRETSA-N 0 1 424.497 3.637 50 30 HHEAMN COc1ccc(CC(=N)NOC(=O)C(c2ccccc2)c2ccccc2)cc1OC ZINC000004898577 557611248 /nfs/dbraw/zinc/61/12/48/557611248.db2.gz XCZIGMLXKQSUAY-UHFFFAOYSA-N 0 1 404.466 3.894 50 30 HHEAMN CC(=NN=c1nc(N2CCCCC2)[nH]c(N2CCCCC2)n1)c1cccc([N+](=O)[O-])c1 ZINC000004997037 557622725 /nfs/dbraw/zinc/62/27/25/557622725.db2.gz UDJXSUBGDFHACB-PCLIKHOPSA-N 0 1 424.509 3.597 50 30 HHEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1ccccc1 ZINC000006621779 557710639 /nfs/dbraw/zinc/71/06/39/557710639.db2.gz GMQGMELXLNGIBD-BTYIYWSLSA-N 0 1 407.466 3.625 50 30 HHEAMN COCCN1C(=O)C(=O)C(C(=O)c2cccs2)[C@H]1c1cccc(Br)c1 ZINC000009339529 557837910 /nfs/dbraw/zinc/83/79/10/557837910.db2.gz TUYZKAHKCXUXHE-OAHLLOKOSA-N 0 1 422.300 3.735 50 30 HHEAMN COc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000020132630 558337316 /nfs/dbraw/zinc/33/73/16/558337316.db2.gz ZQFWFWRXMHYWAP-NRFANRHFSA-N 0 1 420.465 3.581 50 30 HHEAMN COc1ccc(CC2S/C(=N/N=C/c3cccnc3)N(Cc3ccco3)C2=O)cc1 ZINC000012195195 558349168 /nfs/dbraw/zinc/34/91/68/558349168.db2.gz VTELDJRYVDPNLH-AXMNZLFYSA-N 0 1 420.494 3.760 50 30 HHEAMN COC(=O)c1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2cc(C)on2)cc1 ZINC000013570464 558541960 /nfs/dbraw/zinc/54/19/60/558541960.db2.gz REMXYNOYOBWVDD-QGZVFWFLSA-N 0 1 424.434 3.614 50 30 HHEAMN COc1ccc(/C=N/N=C2/NC(=O)C(Cc3cccc(Cl)c3)S2)cc1OC ZINC000015659972 558748066 /nfs/dbraw/zinc/74/80/66/558748066.db2.gz HDTARIFGHXVREB-LASGFXPTSA-N 0 1 403.891 3.521 50 30 HHEAMN CCCOc1cccc(C(=O)C2C(=O)C(=O)N(CCOC)[C@@H]2c2cccs2)c1 ZINC000016749888 558804466 /nfs/dbraw/zinc/80/44/66/558804466.db2.gz RHBOKUUSUNKTFL-GOSISDBHSA-N 0 1 401.484 3.762 50 30 HHEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nncs3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000017180743 558825148 /nfs/dbraw/zinc/82/51/48/558825148.db2.gz UDWKVKCJCSUAGW-INIZCTEOSA-N 0 1 422.422 3.538 50 30 HHEAMN COc1ccccc1/C=N/N=C1/NC(=O)C(Cc2ccc(Br)cc2)S1 ZINC000018209050 558833555 /nfs/dbraw/zinc/83/35/55/558833555.db2.gz GPARCQKSMNKFBX-YODDIOPGSA-N 0 1 418.316 3.622 50 30 HHEAMN COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccccn2)[C@@H]1c1cccnc1 ZINC000013690215 558855426 /nfs/dbraw/zinc/85/54/26/558855426.db2.gz XKWSMBMMNGKYDS-LJQANCHMSA-N 0 1 421.840 3.922 50 30 HHEAMN N#CCCN(Cc1ccco1)C(=O)CSc1nc(C=Cc2ccc(F)cc2)n[nH]1 ZINC000098003822 559016632 /nfs/dbraw/zinc/01/66/32/559016632.db2.gz UGFYDHJPJAGPAQ-TWGQIWQCSA-N 0 1 411.462 3.742 50 30 HHEAMN CCc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000102503585 560812741 /nfs/dbraw/zinc/81/27/41/560812741.db2.gz ULQRWZAEBYBTLW-MOBKVPTQSA-N 0 1 422.525 3.549 50 30 HHEAMN COc1ccc([C@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2Cc2ccco2)c(OC)c1 ZINC000102539835 560813990 /nfs/dbraw/zinc/81/39/90/560813990.db2.gz QYWKNEJRTHUVMX-MRJHHRETSA-N 0 1 419.433 3.919 50 30 HHEAMN O=C(c1cccc([N+](=O)[O-])c1)C1C(=O)C(=O)N(Cc2ccco2)[C@@H]1c1ccccc1 ZINC000102578748 560816855 /nfs/dbraw/zinc/81/68/55/560816855.db2.gz XQJIRJHSTSEWRV-LFVOPCPISA-N 0 1 404.378 3.810 50 30 HHEAMN CSc1nnc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccccc2)s1 ZINC000102622567 560818380 /nfs/dbraw/zinc/81/83/80/560818380.db2.gz MVILPWUMHAMGDR-REQDGWNSSA-N 0 1 415.521 3.948 50 30 HHEAMN CC(C)c1nnc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccccn2)s1 ZINC000102741447 560823637 /nfs/dbraw/zinc/82/36/37/560823637.db2.gz VDLKYBLYBIWQTM-MRPLLJTBSA-N 0 1 412.496 3.744 50 30 HHEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccccc2F)cc1 ZINC000104183690 560849319 /nfs/dbraw/zinc/84/93/19/560849319.db2.gz KECMGTXPUAPFFM-JBCNATCCSA-N 0 1 418.424 3.851 50 30 HHEAMN CN(C)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccccc1F ZINC000020132019 568589662 /nfs/dbraw/zinc/58/96/62/568589662.db2.gz DHLPSVLCOUWKSZ-FQEVSTJZSA-N 0 1 408.429 3.712 50 30 HHEAMN COc1ccc(C(=O)N2CC[C@@]3(C2)Nc2cccnc2N=C3NC2CCCC2)c(C)c1 ZINC000096310006 568724188 /nfs/dbraw/zinc/72/41/88/568724188.db2.gz PJRYDYUIQBUGFC-DEOSSOPVSA-N 0 1 419.529 3.862 50 30 biogenic HHEAMN N#Cc1nc([C@H]2C[C@@H]2c2ccccc2)oc1N1CCCN(CCc2ccncc2)CC1 ZINC000096346268 568737615 /nfs/dbraw/zinc/73/76/15/568737615.db2.gz SRJMCJQPJNXTFK-YADHBBJMSA-N 0 1 413.525 3.967 50 30 HHEAMN CC[NH+]1CCN(Cc2c3c(ccc2[O-])C(=O)/C(=C/c2c[nH]c4ccccc24)O3)CC1 ZINC000019369654 569124424 /nfs/dbraw/zinc/12/44/24/569124424.db2.gz UASXPDPJFZVXLJ-XKZIYDEJSA-N 0 1 403.482 3.627 50 30 HHEAMN CN(C)c1ccc([C@H]2C(C(=O)c3cccs3)C(=O)C(=O)N2C[C@H]2CCCO2)cc1 ZINC000006812727 569136655 /nfs/dbraw/zinc/13/66/55/569136655.db2.gz HYCSXHSMNDFCNL-APWZRJJASA-N 0 1 412.511 3.571 50 30 HHEAMN CN(C)c1ccc([C@H]2C(C(=O)c3cccs3)C(=O)C(=O)N2C[C@@H]2CCCO2)cc1 ZINC000006812726 569136676 /nfs/dbraw/zinc/13/66/76/569136676.db2.gz HYCSXHSMNDFCNL-LPHOPBHVSA-N 0 1 412.511 3.571 50 30 HHEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCOC)[C@H]2c2cccc(F)c2)cc1 ZINC000006308981 569279787 /nfs/dbraw/zinc/27/97/87/569279787.db2.gz UINUZKOKQXVXPM-FQEVSTJZSA-N 0 1 411.429 3.615 50 30 HHEAMN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)s1 ZINC000008926639 571160303 /nfs/dbraw/zinc/16/03/03/571160303.db2.gz BMXHOSWSWRLACE-INIZCTEOSA-N 0 1 422.422 3.538 50 30 HHEAMN COc1ccc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2cc(C)on2)cc1OC ZINC000009358946 571251424 /nfs/dbraw/zinc/25/14/24/571251424.db2.gz UBAYKTVBYHISDG-LJQANCHMSA-N 0 1 424.409 3.685 50 30 HHEAMN C=CCSc1nnc([C@@H]2CCCN(Cc3ccc(OC)c(OCC)c3)C2)n1C ZINC000014982767 962617274 /nfs/dbraw/zinc/61/72/74/962617274.db2.gz XYZOEAPEJWYBBG-QGZVFWFLSA-N 0 1 402.564 3.880 50 30 HHEAMN COc1cc(C=NN2CCN(Cc3cccc4ccccc43)CC2)cc(OC)c1O ZINC000254827152 970580239 /nfs/dbraw/zinc/58/02/39/970580239.db2.gz YXBASIHXTDDQPN-UHFFFAOYSA-N 0 1 405.498 3.714 50 30 HHEAMN CN(C)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccccc1F ZINC000102504076 521754500 /nfs/dbraw/zinc/75/45/00/521754500.db2.gz CSJDNABANVFQHY-NHFXJNLRSA-N 0 1 408.429 3.555 50 30 HHEAMN CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000019582735 521755556 /nfs/dbraw/zinc/75/55/56/521755556.db2.gz VUIRZZFUHFXXIE-SFHVURJKSA-N 0 1 402.853 3.619 50 30 HHEAMN COc1cc(C=Nn2c(=S)[nH]nc2C2CCCCC2)cc(OC)c1OC(C)=O ZINC000001250092 522000645 /nfs/dbraw/zinc/00/06/45/522000645.db2.gz BVNZEKFKVKFNIJ-RGVLZGJSSA-N 0 1 404.492 3.813 50 30 HHEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@H]2c2cccnc2)cc1F ZINC000026459143 523566210 /nfs/dbraw/zinc/56/62/10/523566210.db2.gz VMWSQIWTLANVEN-IBGZPJMESA-N 0 1 408.385 3.601 50 30 HHEAMN COc1ccc(-c2n[nH]c(=S)n2N=Cc2c(OC)cc(OC)cc2OC)cc1 ZINC000001473611 557269383 /nfs/dbraw/zinc/26/93/83/557269383.db2.gz KJLSNRDGRUSIAK-RGVLZGJSSA-N 0 1 400.460 3.524 50 30 HHEAMN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)ONC(=N)Cc1ccc([N+](=O)[O-])cc1 ZINC000004803913 557598980 /nfs/dbraw/zinc/59/89/80/557598980.db2.gz JEHOHFBZUHHASV-SNVBAGLBSA-N 0 1 412.229 3.727 50 30 HHEAMN COc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2C[C@H]2CCCO2)c1 ZINC000005595694 557664127 /nfs/dbraw/zinc/66/41/27/557664127.db2.gz VSABBQOKGMBAPR-QUCCMNQESA-N 0 1 411.429 3.592 50 30 HHEAMN COc1cccc(-c2n[nH]c(=S)n2N=Cc2cc(OC)c(OC)cc2OC)c1 ZINC000006007339 557684210 /nfs/dbraw/zinc/68/42/10/557684210.db2.gz SGHCWBAKXPMQBM-RGVLZGJSSA-N 0 1 400.460 3.524 50 30 HHEAMN COc1ccccc1-c1n[nH]c(=S)n1N=Cc1ccc(OC)c(OC)c1OC ZINC000006166203 557692475 /nfs/dbraw/zinc/69/24/75/557692475.db2.gz CDHRYYDLDMXYKI-RGVLZGJSSA-N 0 1 400.460 3.524 50 30 HHEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@@H]1c1ccccc1 ZINC000006621751 557710676 /nfs/dbraw/zinc/71/06/76/557710676.db2.gz GMQGMELXLNGIBD-VFNWGFHPSA-N 0 1 407.466 3.625 50 30 HHEAMN CN(C)c1ccc([C@H]2C(C(=O)c3cccs3)C(=O)C(=O)N2Cc2cccnc2)cc1 ZINC000008743921 557804314 /nfs/dbraw/zinc/80/43/14/557804314.db2.gz ALWWPIJQBBEARY-FQEVSTJZSA-N 0 1 419.506 3.988 50 30 HHEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(C)o2)[C@H]1c1ccc(Br)cc1 ZINC000009270858 557834142 /nfs/dbraw/zinc/83/41/42/557834142.db2.gz BQGZJVOHTUOZDF-MRXNPFEDSA-N 0 1 420.259 3.575 50 30 HHEAMN Cc1cccc(N2C(=O)/C(=C3/Sc4ccccc4N3C)SC2=Nc2nn[nH]n2)c1 ZINC000013286116 558529434 /nfs/dbraw/zinc/52/94/34/558529434.db2.gz RNSIUIAGUYHYDI-YVCOGYDTSA-N 0 1 421.511 3.687 50 30 HHEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C)cc2)cc1C ZINC000024081145 558587781 /nfs/dbraw/zinc/58/77/81/558587781.db2.gz PPLUILXNHILXPD-QFIPXVFZSA-N 0 1 422.525 3.842 50 30 HHEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C)cc2)cc1C ZINC000024081145 558587784 /nfs/dbraw/zinc/58/77/84/558587784.db2.gz PPLUILXNHILXPD-QFIPXVFZSA-N 0 1 422.525 3.842 50 30 HHEAMN COc1ccc(/C=N/N=C2/NC(=O)C(Cc3cccc(Cl)c3)S2)cc1OC ZINC000015659974 558748048 /nfs/dbraw/zinc/74/80/48/558748048.db2.gz HDTARIFGHXVREB-RYFGYPJOSA-N 0 1 403.891 3.521 50 30 HHEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C)cc2)cc1 ZINC000016946511 558809623 /nfs/dbraw/zinc/80/96/23/558809623.db2.gz DBVCPCBMVMVJRA-JOCHJYFZSA-N 0 1 420.509 3.700 50 30 HHEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C)cc2)cc1 ZINC000016946511 558809624 /nfs/dbraw/zinc/80/96/24/558809624.db2.gz DBVCPCBMVMVJRA-JOCHJYFZSA-N 0 1 420.509 3.700 50 30 HHEAMN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCOC)[C@@H]2c2cccnc2)cc1C ZINC000017138435 558823759 /nfs/dbraw/zinc/82/37/59/558823759.db2.gz ROPISAHFIWTSLS-OAQYLSRUSA-N 0 1 424.497 3.794 50 30 HHEAMN Cc1ccc(N/N=C(\C(=O)OC(C)(C)C)S(=O)(=O)c2cccnc2Cl)cc1 ZINC000096511622 559111139 /nfs/dbraw/zinc/11/11/39/559111139.db2.gz OEUGJUGSINHZHL-CJLVFECKSA-N 0 1 409.895 3.584 50 30 HHEAMN COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccccc2)c1 ZINC000017180107 560703038 /nfs/dbraw/zinc/70/30/38/560703038.db2.gz LPSQLVOLHMQEAC-NRFANRHFSA-N 0 1 400.434 3.869 50 30 HHEAMN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCN(C)C)c1 ZINC000101313328 560791461 /nfs/dbraw/zinc/79/14/61/560791461.db2.gz GREIDRLRZQLTDB-HOGKFDNTSA-N 0 1 420.509 3.543 50 30 HHEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1ccc(C)cc1 ZINC000102434721 560811173 /nfs/dbraw/zinc/81/11/73/560811173.db2.gz ZTOQDOAFDUSVLF-MRJHHRETSA-N 0 1 409.482 3.770 50 30 HHEAMN COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2ccccn2)[C@H]1c1cccnc1 ZINC000102742792 560823667 /nfs/dbraw/zinc/82/36/67/560823667.db2.gz PGOSFQJDPHJACM-WOOAAIBNSA-N 0 1 421.840 3.765 50 30 HHEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(N(C)C)cc1 ZINC000102800489 560828506 /nfs/dbraw/zinc/82/85/06/560828506.db2.gz RVJDXSPBZSXHFU-MRJHHRETSA-N 0 1 408.498 3.519 50 30 HHEAMN COCCN1C(=O)C(=O)C(C(=O)c2cccs2)[C@@H]1c1cccc(Br)c1 ZINC000102800312 560828578 /nfs/dbraw/zinc/82/85/78/560828578.db2.gz LAGHPQZEZZSFJT-IDTYTIONSA-N 0 1 422.300 3.579 50 30 HHEAMN CN(C)c1ccc([C@@H]2C(C(=O)c3cccs3)C(=O)C(=O)N2Cc2cccnc2)cc1 ZINC000102820414 560829519 /nfs/dbraw/zinc/82/95/19/560829519.db2.gz NEOSETPBSVMPER-YDJIHCHBSA-N 0 1 419.506 3.831 50 30 HHEAMN COc1ccc(OC)c([C@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2Cc2ccco2)c1 ZINC000102926685 560834469 /nfs/dbraw/zinc/83/44/69/560834469.db2.gz WOZLCPMURISAQK-MRJHHRETSA-N 0 1 419.433 3.919 50 30 HHEAMN C=CCOC[C@H](O)CN(Cc1cccc(F)c1)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000104983352 560859094 /nfs/dbraw/zinc/85/90/94/560859094.db2.gz IKIQBRWKZMGAPU-FGZHOGPDSA-N 0 1 416.468 3.524 50 30 HHEAMN CN(C)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccc(F)cc1 ZINC000020134142 568589858 /nfs/dbraw/zinc/58/98/58/568589858.db2.gz HISSELCRWVMJMN-FQEVSTJZSA-N 0 1 408.429 3.712 50 30 HHEAMN CCCOc1cccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCN(C)C)c1 ZINC000020233962 568595443 /nfs/dbraw/zinc/59/54/43/568595443.db2.gz VLVOBQCJXCXMML-IBGZPJMESA-N 0 1 414.527 3.677 50 30 HHEAMN CCCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000020233130 568595503 /nfs/dbraw/zinc/59/55/03/568595503.db2.gz SMROCVRBNMPPGD-OAQYLSRUSA-N 0 1 408.498 3.615 50 30 HHEAMN CCCOc1ccc([C@@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCN(C)C)cc1 ZINC000020233130 568595505 /nfs/dbraw/zinc/59/55/05/568595505.db2.gz SMROCVRBNMPPGD-OAQYLSRUSA-N 0 1 408.498 3.615 50 30 HHEAMN CC[N@H+](CC(=O)[N-]S(=O)(=O)Cc1ccc(C#N)cc1)Cc1ccc(Cl)cc1 ZINC000095406416 568606279 /nfs/dbraw/zinc/60/62/79/568606279.db2.gz YRYIEQJXRGPYRH-UHFFFAOYSA-N 0 1 405.907 3.520 50 30 HHEAMN CC[N@@H+](CC(=O)[N-]S(=O)(=O)Cc1ccc(C#N)cc1)Cc1ccc(Cl)cc1 ZINC000095406416 568606281 /nfs/dbraw/zinc/60/62/81/568606281.db2.gz YRYIEQJXRGPYRH-UHFFFAOYSA-N 0 1 405.907 3.520 50 30 HHEAMN Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]C(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC000095455056 568616697 /nfs/dbraw/zinc/61/66/97/568616697.db2.gz HODQNDRFEFDZNR-GOSISDBHSA-N 0 1 408.564 3.581 50 30 HHEAMN CC1(C)O[C@@H]2C[C@H]3[C@@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@]2(C(O)=CC=O)O1 ZINC000003985079 568931241 /nfs/dbraw/zinc/93/12/41/568931241.db2.gz YZBGWFSBZCVQPL-WNYNNKGASA-N 0 1 416.558 3.968 50 30 biogenic HHEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccccc2)cc1 ZINC000004311847 568961133 /nfs/dbraw/zinc/96/11/33/568961133.db2.gz IDSKRDRAAXFECX-NRFANRHFSA-N 0 1 408.498 3.615 50 30 HHEAMN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccccc2)cc1 ZINC000004311847 568961134 /nfs/dbraw/zinc/96/11/34/568961134.db2.gz IDSKRDRAAXFECX-NRFANRHFSA-N 0 1 408.498 3.615 50 30 HHEAMN COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)c2cccc(C#N)c2)c1 ZINC000006213828 569033232 /nfs/dbraw/zinc/03/32/32/569033232.db2.gz YTMKWWTVGUVVPZ-UHFFFAOYSA-N 0 1 407.451 3.620 50 30 HHEAMN C=CCOc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2cc(C)on2)cc1 ZINC000006412947 569046946 /nfs/dbraw/zinc/04/69/46/569046946.db2.gz YFLZMFABUCWENS-IBGZPJMESA-N 0 1 406.394 3.924 50 30 HHEAMN COCCN1C(=O)C(=O)C(C(=O)c2cccs2)[C@@H]1c1ccc(Br)cc1 ZINC000019927238 569363294 /nfs/dbraw/zinc/36/32/94/569363294.db2.gz KKMFPBYNZXHHKD-HNNXBMFYSA-N 0 1 422.300 3.735 50 30 HHEAMN COc1ccc(-c2nc(NCc3ccc(Cn4cccn4)cc3)[nH]c(=O)c2C#N)cc1 ZINC000040130059 571182018 /nfs/dbraw/zinc/18/20/18/571182018.db2.gz FGFORNIWGZYDHU-UHFFFAOYSA-N 0 1 412.453 3.586 50 30 HHEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)no1 ZINC000009328870 571248466 /nfs/dbraw/zinc/24/84/66/571248466.db2.gz KSVNMRUNCKPWDR-IBGZPJMESA-N 0 1 419.393 3.983 50 30 HHEAMN C[C@@H]1CCCN(c2nc3ccccc3nc2C(C#N)S(=O)(=O)c2ccccc2)C1 ZINC000004325667 132275430 /nfs/dbraw/zinc/27/54/30/132275430.db2.gz WWWHUAIJESDEEB-OXQOHEQNSA-N 0 1 406.511 3.905 50 30 HHEAMN CCOc1ccc(/N=C2\NC(=O)/C(=C\c3cc(OC)c(O)c([N+](=O)[O-])c3)S2)cc1 ZINC000033931545 520860695 /nfs/dbraw/zinc/86/06/95/520860695.db2.gz VUDGWRMCRODBMU-MHWRWJLKSA-N 0 1 415.427 3.599 50 30 HHEAMN CC[NH+]1CCN(Cc2c3c(ccc2[O-])C(=O)/C(=C\c2cn(C)c4ccccc24)O3)CC1 ZINC000022935532 521687511 /nfs/dbraw/zinc/68/75/11/521687511.db2.gz MKKUYWVNQPLTQE-OEAKJJBVSA-N 0 1 417.509 3.638 50 30 HHEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(O)cc2)cc1F ZINC000026458961 523564351 /nfs/dbraw/zinc/56/43/51/523564351.db2.gz ZRRGQUFVBKCFIQ-HXUWFJFHSA-N 0 1 423.396 3.911 50 30 HHEAMN COc1ccc(/C=N/N=C2/NC(=O)C(Cc3ccc(Br)cc3)S2)cc1 ZINC000002669026 557366330 /nfs/dbraw/zinc/36/63/30/557366330.db2.gz CRBSQWNFRXNHMX-MBTVCVBTSA-N 0 1 418.316 3.622 50 30 HHEAMN C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(Cc4ccco4)[C@@H]3c3cccnc3)ccc2O1 ZINC000002705092 557369041 /nfs/dbraw/zinc/36/90/41/557369041.db2.gz PLEJOFOVDWGRHB-LHSJRXKWSA-N 0 1 416.433 3.777 50 30 HHEAMN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCN(C)C)c1 ZINC000004427163 557554463 /nfs/dbraw/zinc/55/44/63/557554463.db2.gz UPZTZUNOZLARFB-JOCHJYFZSA-N 0 1 420.509 3.700 50 30 HHEAMN COc1ccc(N2C(=O)C(O)=C(C(C)=O)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000004870270 557608618 /nfs/dbraw/zinc/60/86/18/557608618.db2.gz GMODKEHPDRIRNK-KRWDZBQOSA-N 0 1 402.244 3.947 50 30 HHEAMN C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(Cc4ccco4)[C@H]3c3cccnc3)ccc2O1 ZINC000005931761 557681353 /nfs/dbraw/zinc/68/13/53/557681353.db2.gz PLEJOFOVDWGRHB-QKKBWIMNSA-N 0 1 416.433 3.777 50 30 HHEAMN O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(O)cc1)c1ccc(F)cc1 ZINC000008418198 557787455 /nfs/dbraw/zinc/78/74/55/557787455.db2.gz QZVUYFKSADELKS-HXUWFJFHSA-N 0 1 404.397 3.705 50 30 HHEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(C)o2)[C@@H]1c1ccc(Br)cc1 ZINC000009270855 557834114 /nfs/dbraw/zinc/83/41/14/557834114.db2.gz BQGZJVOHTUOZDF-INIZCTEOSA-N 0 1 420.259 3.575 50 30 HHEAMN O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1ccc(O)cc1)c1ccc(Cl)cc1 ZINC000009669265 557848267 /nfs/dbraw/zinc/84/82/67/557848267.db2.gz NEEBPSMKJOHBIB-PKOBYXMFSA-N 0 1 413.857 3.803 50 30 HHEAMN COc1cc(/C=N/N2CCN(Cc3cccc4ccccc43)CC2)ccc1OC(C)=O ZINC000019849121 558295168 /nfs/dbraw/zinc/29/51/68/558295168.db2.gz COZHKDGUOZZDAB-YZSQISJMSA-N 0 1 417.509 3.925 50 30 HHEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C)cc2)cc1 ZINC000020171950 558343612 /nfs/dbraw/zinc/34/36/12/558343612.db2.gz DBVCPCBMVMVJRA-QFIPXVFZSA-N 0 1 420.509 3.700 50 30 HHEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C)cc2)cc1 ZINC000020171950 558343616 /nfs/dbraw/zinc/34/36/16/558343616.db2.gz DBVCPCBMVMVJRA-QFIPXVFZSA-N 0 1 420.509 3.700 50 30 HHEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@@H]1c1cccnc1 ZINC000013004838 558501820 /nfs/dbraw/zinc/50/18/20/558501820.db2.gz WUNPHSSKFHUTLA-NRFANRHFSA-N 0 1 424.497 3.650 50 30 HHEAMN CCOc1cccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2ccncc2)c1 ZINC000013119688 558517105 /nfs/dbraw/zinc/51/71/05/558517105.db2.gz UNOPOWALCNACJU-HXUWFJFHSA-N 0 1 404.422 3.852 50 30 HHEAMN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCOC)[C@@H]2c2ccncc2)cc1C ZINC000017044931 558813006 /nfs/dbraw/zinc/81/30/06/558813006.db2.gz MYGHLRSDUVSONM-OAQYLSRUSA-N 0 1 424.497 3.794 50 30 HHEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccccn2)cc1C ZINC000017057806 558813325 /nfs/dbraw/zinc/81/33/25/558813325.db2.gz WAVDQVNUBQNHJC-NRFANRHFSA-N 0 1 415.449 3.572 50 30 HHEAMN CCOC(=O)c1ccc(CC2S/C(=N/N=C/c3ccc(Cl)cc3)NC2=O)cc1 ZINC000004725656 558930478 /nfs/dbraw/zinc/93/04/78/558930478.db2.gz HTCKTWVCTVGMKT-ORWNMUSCSA-N 0 1 415.902 3.681 50 30 HHEAMN Cc1ccc([C@@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCCn2ccnc2)cc1 ZINC000096300440 559108957 /nfs/dbraw/zinc/10/89/57/559108957.db2.gz OOACPXDVCXQTAT-OAQYLSRUSA-N 0 1 401.466 3.860 50 30 HHEAMN COc1ccc(/C=N/N=C2\SC(C)C(=O)N2Cc2ccc(F)cc2)cc1OC ZINC000004889379 559197838 /nfs/dbraw/zinc/19/78/38/559197838.db2.gz GCADHMVFHWSQTD-SSKYUAFRSA-N 0 1 401.463 3.697 50 30 HHEAMN Cc1ccc(-c2nc(S[C@H](C)C(=O)Nc3ccc(F)cc3)[nH]c(=O)c2C#N)cc1 ZINC000005238318 560548882 /nfs/dbraw/zinc/54/88/82/560548882.db2.gz AOGKZYAWQRAIPD-CYBMUJFWSA-N 0 1 408.458 3.875 50 30 HHEAMN CCCOc1cccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCN(C)C)c1 ZINC000018159341 560780195 /nfs/dbraw/zinc/78/01/95/560780195.db2.gz JIWGPJBRVVFNPO-NRFANRHFSA-N 0 1 408.498 3.615 50 30 HHEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C)cc2)cc1 ZINC000018178214 560781586 /nfs/dbraw/zinc/78/15/86/560781586.db2.gz UBKHNJPIYUSRQS-QFIPXVFZSA-N 0 1 422.525 3.924 50 30 HHEAMN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C)cc2)cc1 ZINC000018178214 560781587 /nfs/dbraw/zinc/78/15/87/560781587.db2.gz UBKHNJPIYUSRQS-QFIPXVFZSA-N 0 1 422.525 3.924 50 30 HHEAMN CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccccc2)cc1 ZINC000102170085 560808319 /nfs/dbraw/zinc/80/83/19/560808319.db2.gz XSYQEPHLEHOIPA-MOBKVPTQSA-N 0 1 422.525 3.705 50 30 HHEAMN CC(C)COc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccccc2)cc1 ZINC000102170085 560808321 /nfs/dbraw/zinc/80/83/21/560808321.db2.gz XSYQEPHLEHOIPA-MOBKVPTQSA-N 0 1 422.525 3.705 50 30 HHEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@@H]1c1cccc(Cl)c1 ZINC000102505492 560812886 /nfs/dbraw/zinc/81/28/86/560812886.db2.gz PEPAQRMDBWWAOT-WOOAAIBNSA-N 0 1 415.873 3.807 50 30 HHEAMN O=C(c1ccccc1)C1C(=O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000102534519 560813686 /nfs/dbraw/zinc/81/36/86/560813686.db2.gz NQJYHQBWUXYUAH-YDJIHCHBSA-N 0 1 415.405 3.612 50 30 HHEAMN O=C(c1cccc([N+](=O)[O-])c1)C1C(=O)C(=O)N(Cc2ccco2)[C@H]1c1ccccc1 ZINC000102578752 560816862 /nfs/dbraw/zinc/81/68/62/560816862.db2.gz XQJIRJHSTSEWRV-WOOAAIBNSA-N 0 1 404.378 3.810 50 30 HHEAMN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccs2)cc1 ZINC000102550551 560817902 /nfs/dbraw/zinc/81/79/02/560817902.db2.gz FXWHBDDKBBMUHR-WOOAAIBNSA-N 0 1 414.527 3.519 50 30 HHEAMN CCCOc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2cc(C)on2)cc1 ZINC000102705413 560820539 /nfs/dbraw/zinc/82/05/39/560820539.db2.gz DCTHGMQWFZTKNR-WOOAAIBNSA-N 0 1 408.410 3.991 50 30 HHEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2cccc([N+](=O)[O-])c2)no1 ZINC000102800582 560828526 /nfs/dbraw/zinc/82/85/26/560828526.db2.gz KYDIVMZZFKJDOO-WOOAAIBNSA-N 0 1 419.393 3.826 50 30 HHEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1ccc(F)cc1 ZINC000102928227 560834560 /nfs/dbraw/zinc/83/45/60/560834560.db2.gz DJLZFBKBCREURD-YDJIHCHBSA-N 0 1 413.445 3.601 50 30 HHEAMN O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(Cc2cccnc2)[C@H]1c1cccnc1 ZINC000104182417 560849302 /nfs/dbraw/zinc/84/93/02/560849302.db2.gz KCQRCUASVFUAIC-WOOAAIBNSA-N 0 1 405.841 3.752 50 30 HHEAMN O=C(c1ccc(F)cc1)C1C(=O)C(=O)N(CCCn2ccnc2)[C@@H]1c1ccccc1 ZINC000104185675 560849381 /nfs/dbraw/zinc/84/93/81/560849381.db2.gz TVVGXGACCBNJOX-YDJIHCHBSA-N 0 1 405.429 3.534 50 30 HHEAMN C=CCN1C(=O)c2n[nH]c(-c3cc(C)ccc3O)c2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000012063452 560888227 /nfs/dbraw/zinc/88/82/27/560888227.db2.gz DLDJTVHUCURBAC-QFIPXVFZSA-N 0 1 405.454 3.839 50 30 HHEAMN Cc1ccc([C@H]2C(C(=O)c3cc(C)c(C)cc3[O-])=C(O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000020310037 568598406 /nfs/dbraw/zinc/59/84/06/568598406.db2.gz VAJVNTPKNPWYCY-QFIPXVFZSA-N 0 1 422.525 3.847 50 30 HHEAMN C#Cc1cccc(NS(=O)(=O)c2cc(Br)ccc2Br)c1 ZINC000012541934 568848759 /nfs/dbraw/zinc/84/87/59/568848759.db2.gz HPQZSCSAGRWIBJ-UHFFFAOYSA-N 0 1 415.106 3.994 50 30 HHEAMN COc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(F)cc2)c1 ZINC000006160818 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C=CCOC[C@H](O)CN(Cc1ccccc1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104985054 569009730 /nfs/dbraw/zinc/00/97/30/569009730.db2.gz XJORAEFJNCZJOX-FGZHOGPDSA-N 0 1 414.933 3.899 50 30 HHEAMN O=C1c2ccccc2C(=O)N1N=Cc1cc(Br)cc(Br)c1O ZINC000254839374 569013421 /nfs/dbraw/zinc/01/34/21/569013421.db2.gz HQGQFDIUHQQQJD-UHFFFAOYSA-N 0 1 424.048 3.547 50 30 HHEAMN COC(=O)c1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2Cc2ccco2)cc1 ZINC000006720064 569031083 /nfs/dbraw/zinc/03/10/83/569031083.db2.gz QJDPHYDLFBVSDD-FQEVSTJZSA-N 0 1 417.417 3.845 50 30 HHEAMN COc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(F)cc2)c1 ZINC000102718412 569041354 /nfs/dbraw/zinc/04/13/54/569041354.db2.gz XMIBPMHSCLFJSC-WOOAAIBNSA-N 0 1 408.385 3.757 50 30 HHEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2ccc(C)cc2)cc1 ZINC000006553759 569065453 /nfs/dbraw/zinc/06/54/53/569065453.db2.gz YQXBUCFOYKTONZ-FPOVZHCZSA-N 0 1 407.466 3.761 50 30 HHEAMN Cc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccncc2)cc1F ZINC000005409129 569071952 /nfs/dbraw/zinc/07/19/52/569071952.db2.gz RFPQXZMWKGNGEC-FQEVSTJZSA-N 0 1 403.413 3.703 50 30 HHEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2cccc(F)c2)cc1 ZINC000017138608 569275433 /nfs/dbraw/zinc/27/54/33/569275433.db2.gz HNUCEVOYYOJETJ-AZUAARDMSA-N 0 1 411.429 3.592 50 30 HHEAMN O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1cccc(O)c1)c1ccc(Cl)cc1 ZINC000017137799 569275465 /nfs/dbraw/zinc/27/54/65/569275465.db2.gz UMMMGUOOPQRKTC-HKUYNNGSSA-N 0 1 413.857 3.803 50 30 HHEAMN CCC1S/C(=N\N=C\c2cccc([N+](=O)[O-])c2)N(Cc2ccc(F)cc2)C1=O ZINC000002304482 569372293 /nfs/dbraw/zinc/37/22/93/569372293.db2.gz PSZLSWIRGPJCIQ-NIPOYBLHSA-N 0 1 400.435 3.978 50 30 HHEAMN Cc1c(CN2CCC3(CN(C[C@H](C)c4ccccc4)C(=O)O3)CC2)cc(C#N)n1C ZINC000072421036 569384191 /nfs/dbraw/zinc/38/41/91/569384191.db2.gz IQRKSJJQFMZOOR-SFHVURJKSA-N 0 1 406.530 3.796 50 30 HHEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)no1 ZINC000008772078 571117679 /nfs/dbraw/zinc/11/76/79/571117679.db2.gz QSECRTBLUCSPOD-SFHVURJKSA-N 0 1 423.356 3.813 50 30 HHEAMN O=C(c1cccc([N+](=O)[O-])c1)C1C(=O)C(=O)N(Cc2ccco2)[C@H]1c1ccccc1 ZINC000009089253 571220349 /nfs/dbraw/zinc/22/03/49/571220349.db2.gz OEYASSQXCDSFCD-IBGZPJMESA-N 0 1 404.378 3.966 50 30 HHEAMN C=CCN1c2cc(NS(=O)(=O)c3ccc(F)cc3F)ccc2OCC(C)(C)C1=O ZINC000009171280 571233786 /nfs/dbraw/zinc/23/37/86/571233786.db2.gz JZKMABGJMHTTME-UHFFFAOYSA-N 0 1 422.453 3.703 50 30 HHEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2cccnc2)cc1 ZINC000009361412 571251621 /nfs/dbraw/zinc/25/16/21/571251621.db2.gz FGENANLTPYLUOV-FQEVSTJZSA-N 0 1 419.437 3.950 50 30 HHEAMN Cc1ccccc1OCC(=O)N1CCC[C@]2(C1)Nc1cccnc1N=C2NC(C)(C)C ZINC000096309863 969042770 /nfs/dbraw/zinc/04/27/70/969042770.db2.gz HNMAAJTWMVPCFU-XMMPIXPASA-N 0 1 421.545 3.865 50 30 biogenic HHEAMN Cc1ccccc1OCC(=O)N1CCC[C@@]2(C1)Nc1cccnc1N=C2NC(C)(C)C ZINC000096309864 969042944 /nfs/dbraw/zinc/04/29/44/969042944.db2.gz HNMAAJTWMVPCFU-DEOSSOPVSA-N 0 1 421.545 3.865 50 30 biogenic HHEAMN C=CCc1cc(CN2CCN(Cc3ccc(OC)c(F)c3)CC2)c(O)c(OC)c1 ZINC000022776653 519130066 /nfs/dbraw/zinc/13/00/66/519130066.db2.gz INKOWKRUGBIHQE-UHFFFAOYSA-N 0 1 400.494 3.595 50 30 HHEAMN COc1cc(CN=Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc([N+](=O)[O-])c1O ZINC000031854475 522006902 /nfs/dbraw/zinc/00/69/02/522006902.db2.gz GUBLCNOQNYJEJS-LSCVHKIXSA-N 0 1 415.387 3.787 50 30 HHEAMN O=C1Nc2ccccc2/C1=N/N=C/c1cc(Br)cc(Br)c1O ZINC000001036697 527089997 /nfs/dbraw/zinc/08/99/97/527089997.db2.gz HGVZIVPEFORADV-CNHKJKLMSA-N 0 1 423.064 3.693 50 30 HHEAMN O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1ccc(O)cc1)c1ccc(Cl)cc1 ZINC000004312176 557539261 /nfs/dbraw/zinc/53/92/61/557539261.db2.gz NEEBPSMKJOHBIB-IEBWSBKVSA-N 0 1 413.857 3.803 50 30 HHEAMN O=C1CSC(NN=Cc2ccc(OCc3ccc(Br)cc3)cc2)=N1 ZINC000004546975 557565656 /nfs/dbraw/zinc/56/56/56/557565656.db2.gz ROVKOTOOLDQZCX-DJKKODMXSA-N 0 1 404.289 3.581 50 30 HHEAMN CCSc1nc2n(n1)[C@@H](c1cc([N+](=O)[O-])ccc1Cl)C1=C(CCCC1=O)N2 ZINC000004777004 557597021 /nfs/dbraw/zinc/59/70/21/557597021.db2.gz JCKQLLZPUITNJE-HNNXBMFYSA-N 0 1 405.867 3.974 50 30 HHEAMN COc1cc(-c2n[nH]c(=S)n2N=Cc2ccc(N(C)C)cc2)cc(OC)c1OC ZINC000005328505 557645082 /nfs/dbraw/zinc/64/50/82/557645082.db2.gz CSQXADZDQPHMPC-CIAFOILYSA-N 0 1 413.503 3.582 50 30 HHEAMN COc1ccc(CCN(C)CC(=O)N(C)[C@H](C#N)c2ccccc2Cl)cc1OC ZINC000005668524 557667662 /nfs/dbraw/zinc/66/76/62/557667662.db2.gz PVXGSHSRWXPZLD-LJQANCHMSA-N 0 1 415.921 3.555 50 30 HHEAMN O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(Cc2cccnc2)[C@H]1c1ccccn1 ZINC000005814198 557676006 /nfs/dbraw/zinc/67/60/06/557676006.db2.gz NPCULPNZQCNGDE-IBGZPJMESA-N 0 1 405.841 3.909 50 30 HHEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000006786081 557720953 /nfs/dbraw/zinc/72/09/53/557720953.db2.gz LGWRASJSWMIJDN-IBGZPJMESA-N 0 1 415.873 3.963 50 30 HHEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000020057843 558329021 /nfs/dbraw/zinc/32/90/21/558329021.db2.gz UZBPXNDYURPRNL-OAQYLSRUSA-N 0 1 408.498 3.534 50 30 HHEAMN CC(C)Oc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000020227930 558349558 /nfs/dbraw/zinc/34/95/58/558349558.db2.gz TUMWLGKKNRMTLE-IBGZPJMESA-N 0 1 414.527 3.675 50 30 HHEAMN CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000013571261 558542174 /nfs/dbraw/zinc/54/21/74/558542174.db2.gz WBBQEUBJEMDAIG-MRXNPFEDSA-N 0 1 409.269 3.726 50 30 HHEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CC=C)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000016741346 558803525 /nfs/dbraw/zinc/80/35/25/558803525.db2.gz LPIMLDPNABKDSD-HXUWFJFHSA-N 0 1 420.421 3.924 50 30 HHEAMN Cn1c(CCCCCCC(=O)NO)nc2cc(N(CCCl)CCCl)ccc21 ZINC000068244536 558809229 /nfs/dbraw/zinc/80/92/29/558809229.db2.gz GISXTRIGVCKQBX-UHFFFAOYSA-N 0 1 415.365 3.856 50 30 HHEAMN Cc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(OC(C)C)cc2)cc1 ZINC000017147170 558824078 /nfs/dbraw/zinc/82/40/78/558824078.db2.gz BNIHDTPBNJWJGC-QFIPXVFZSA-N 0 1 422.525 3.922 50 30 HHEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(OC(C)C)cc2)cc1 ZINC000017147170 558824080 /nfs/dbraw/zinc/82/40/80/558824080.db2.gz BNIHDTPBNJWJGC-QFIPXVFZSA-N 0 1 422.525 3.922 50 30 HHEAMN Cc1cc(C)nc(N=NCc2cc(Br)cc(Br)c2O)n1 ZINC000004872004 559194511 /nfs/dbraw/zinc/19/45/11/559194511.db2.gz ULJQQRNLDQMXQZ-OMCISZLKSA-N 0 1 400.074 3.770 50 30 HHEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccc([N+](=O)[O-])cc2)no1 ZINC000005052337 559237122 /nfs/dbraw/zinc/23/71/22/559237122.db2.gz RVOXZZNFFSKDNA-MRXNPFEDSA-N 0 1 411.395 3.736 50 30 HHEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1cccs1 ZINC000017208823 560703997 /nfs/dbraw/zinc/70/39/97/560703997.db2.gz XPHIWNCHMRYWTQ-SFHVURJKSA-N 0 1 401.484 3.760 50 30 HHEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1ccc(C)cc1 ZINC000102434711 560811169 /nfs/dbraw/zinc/81/11/69/560811169.db2.gz ZTOQDOAFDUSVLF-JBCNATCCSA-N 0 1 409.482 3.770 50 30 HHEAMN CSc1nnc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccccc2)s1 ZINC000102622563 560818326 /nfs/dbraw/zinc/81/83/26/560818326.db2.gz MVILPWUMHAMGDR-MNWMYKRDSA-N 0 1 415.521 3.948 50 30 HHEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(OC)cc1 ZINC000102727758 560822029 /nfs/dbraw/zinc/82/20/29/560822029.db2.gz DPKWRJFSNQMUEZ-LFVOPCPISA-N 0 1 415.873 3.807 50 30 HHEAMN COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2cc(C)on2)c1 ZINC000102733926 560822702 /nfs/dbraw/zinc/82/27/02/560822702.db2.gz RWSWXLUYOUEPKZ-LFVOPCPISA-N 0 1 424.409 3.528 50 30 HHEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3ncccn3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000102804613 560826968 /nfs/dbraw/zinc/82/69/68/560826968.db2.gz COPVHATUVKENNL-SELCWUDQSA-N 0 1 421.840 3.765 50 30 HHEAMN COc1ccc([C@@H]2C(C(=O)c3cccs3)C(=O)C(=O)N2Cc2cccnc2)cc1 ZINC000102804841 560826996 /nfs/dbraw/zinc/82/69/96/560826996.db2.gz XRXCQHHDHYDLLT-LFVOPCPISA-N 0 1 406.463 3.774 50 30 HHEAMN O=C(c1ccccc1)C1C(=O)C(=O)N(Cc2ccco2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000102875766 560830674 /nfs/dbraw/zinc/83/06/74/560830674.db2.gz DTRTYGZYEBXJRN-WOOAAIBNSA-N 0 1 404.378 3.810 50 30 HHEAMN COc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nccs2)cc1 ZINC000104181134 560849348 /nfs/dbraw/zinc/84/93/48/560849348.db2.gz WUVSCAHVDFRUSF-HVESIFNPSA-N 0 1 410.426 3.917 50 30 HHEAMN C=CCOC[C@@H](O)CN(Cc1cccc(F)c1)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000104983356 560859166 /nfs/dbraw/zinc/85/91/66/560859166.db2.gz IKIQBRWKZMGAPU-FCHUYYIVSA-N 0 1 416.468 3.524 50 30 HHEAMN CN(C)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1cccc(F)c1 ZINC000020150211 568590657 /nfs/dbraw/zinc/59/06/57/568590657.db2.gz OPPSDIZZIJYYMK-FQEVSTJZSA-N 0 1 408.429 3.712 50 30 HHEAMN COCC[NH+](CCOC)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccccc1Cl)O2 ZINC000020533471 568629503 /nfs/dbraw/zinc/62/95/03/568629503.db2.gz BCXRNANGAZVHLZ-MOSHPQCFSA-N 0 1 417.889 3.757 50 30 HHEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCO)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000005997173 568834764 /nfs/dbraw/zinc/83/47/64/568834764.db2.gz UHQDJWOTLMCCBX-LJQANCHMSA-N 0 1 415.873 3.699 50 30 HHEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2cccc([N+](=O)[O-])c2)no1 ZINC000001450450 568986074 /nfs/dbraw/zinc/98/60/74/568986074.db2.gz UVDCOPJHGWRKKY-SFHVURJKSA-N 0 1 423.356 3.813 50 30 HHEAMN C=CCc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)cc(OC)c1O ZINC000000664813 569005942 /nfs/dbraw/zinc/00/59/42/569005942.db2.gz FAZKXSNLENPQGK-GZTJUZNOSA-N 0 1 422.506 3.577 50 30 HHEAMN C=CCOc1ccc([C@@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2cc(C)on2)cc1 ZINC000006412907 569046836 /nfs/dbraw/zinc/04/68/36/569046836.db2.gz YFLZMFABUCWENS-LJQANCHMSA-N 0 1 406.394 3.924 50 30 HHEAMN C=CCOc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2cc(C)on2)cc1 ZINC000006412907 569046837 /nfs/dbraw/zinc/04/68/37/569046837.db2.gz YFLZMFABUCWENS-LJQANCHMSA-N 0 1 406.394 3.924 50 30 HHEAMN COc1cc(C=Nn2c(=O)c(C)n[nH]c2=S)ccc1OCc1ccccc1Cl ZINC000006685129 569089419 /nfs/dbraw/zinc/08/94/19/569089419.db2.gz JPLRASZRWMECDQ-UFFVCSGVSA-N 0 1 416.890 3.733 50 30 HHEAMN CCOc1ccc([C@H]2C(C(=O)c3cccs3)C(=O)C(=O)N2C[C@@H]2CCCO2)cc1 ZINC000006784131 569121352 /nfs/dbraw/zinc/12/13/52/569121352.db2.gz TVISKPKKYLKPAZ-LPHOPBHVSA-N 0 1 413.495 3.904 50 30 HHEAMN N#Cc1ccc(Br)cc1S(=O)(=O)Nc1cccc(-c2cc[nH]n2)c1 ZINC000240551654 569249011 /nfs/dbraw/zinc/24/90/11/569249011.db2.gz GVFMOBFESKSGMG-UHFFFAOYSA-N 0 1 403.261 3.512 50 30 HHEAMN COc1cc(OC)c(C=Nn2c(=S)[nH]nc2-c2ccccc2OC)c(OC)c1 ZINC000006166193 569279605 /nfs/dbraw/zinc/27/96/05/569279605.db2.gz SZYFGGHMYSNWES-RGVLZGJSSA-N 0 1 400.460 3.524 50 30 HHEAMN CCCCCCOC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCN(CC)CC1 ZINC000002265467 569325670 /nfs/dbraw/zinc/32/56/70/569325670.db2.gz LESCIQXAQACJGP-SFHVURJKSA-N 0 1 409.534 3.502 50 30 HHEAMN Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(Cl)cc2)s1 ZINC000017996113 569382451 /nfs/dbraw/zinc/38/24/51/569382451.db2.gz KVQXJEUTZRACHL-INIZCTEOSA-N 0 1 419.934 3.553 50 30 HHEAMN COC(=O)c1c(F)cc(C#N)cc1NCc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000079057986 569426086 /nfs/dbraw/zinc/42/60/86/569426086.db2.gz VKBOMHAOOBYDFY-HZPDHXFCSA-N 0 1 411.477 3.705 50 30 HHEAMN C=CCN(C[C@@H](O)COc1ccccc1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000245326670 571225032 /nfs/dbraw/zinc/22/50/32/571225032.db2.gz GWYHXZKNWSHKOV-TZIWHRDSSA-N 0 1 400.906 3.761 50 30 HHEAMN